216327
  -OEChem-10101305022D

 39 41  0     0  0  0  0  0  0999 V2000
    4.4030    4.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -4.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4030    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9030   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9030    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9030   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9030    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4030    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8059    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8059   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5930   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5930    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8059    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8059   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2130   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2130    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0230    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  9  2  0  0  0  0
  4  9  1  0  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  6 13  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 25  1  0  0  0  0
 11 17  1  0  0  0  0
 11 26  1  0  0  0  0
 12 18  2  0  0  0  0
 12 27  1  0  0  0  0
 13 19  2  0  0  0  0
 13 28  1  0  0  0  0
 14 20  1  0  0  0  0
 14 29  1  0  0  0  0
 15 21  2  0  0  0  0
 15 30  1  0  0  0  0
 16 22  2  0  0  0  0
 16 32  1  0  0  0  0
 17 23  2  0  0  0  0
 17 31  1  0  0  0  0
 18 22  1  0  0  0  0
 18 34  1  0  0  0  0
 19 23  1  0  0  0  0
 19 33  1  0  0  0  0
 20 24  2  0  0  0  0
 20 35  1  0  0  0  0
 21 24  1  0  0  0  0
 21 36  1  0  0  0  0
 24 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
216327

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
397

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6IYAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHwAQAAAADgCBmAgwAIBAAACIAiFSEAACAAAgAAAIiAEAAIgIIDKAlRGAIAAggAAIiAcYiMCPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,2-bis(4-fluorophenyl)-2-phenyl-acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2,2-bis(4-fluorophenyl)-2-phenylacetamide

> <PUBCHEM_IUPAC_NAME>
2,2-bis(4-fluorophenyl)-2-phenylacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,2-bis(4-fluorophenyl)-2-phenyl-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,2-bis(4-fluorophenyl)-2-phenyl-acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H15F2NO/c21-17-10-6-15(7-11-17)20(19(23)24,14-4-2-1-3-5-14)16-8-12-18(22)13-9-16/h1-13H,(H2,23,24)

> <PUBCHEM_IUPAC_INCHIKEY>
SCTZUZTYRMOMKT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
323.112171

> <PUBCHEM_MOLECULAR_FORMULA>
C20H15F2NO

> <PUBCHEM_MOLECULAR_WEIGHT>
323.336006

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
43.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
323.112171

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  16  8
11  17  8
12  18  8
13  19  8
14  20  8
15  21  8
16  22  8
17  23  8
18  22  8
19  23  8
20  24  8
21  24  8
6  11  8
6  13  8
7  10  8
7  12  8
8  14  8
8  15  8

$$$$