57469576
  -OEChem-05052403402D

 33 35  0     0  0  0  0  0  0999 V2000
    9.2619   -1.2587    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3426    1.0346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.0635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    2.1913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -2.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    1.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -2.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -1.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -2.6528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5359    0.2045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3715    0.9844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.4487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -2.6617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    0.1442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -2.6617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719    0.1442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177    2.6528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2384    2.3192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 17  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  0  0  0  0
  4 17  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 17  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 11 24  1  0  0  0  0
 12 14  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  2  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 18  1  0  0  0  0
 15 28  1  0  0  0  0
 16 19  2  0  0  0  0
 16 29  1  0  0  0  0
 18 20  2  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57469576

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
354

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IQAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHwAQAAAADAiBnggwwPLJkACoAyVyVACCgCAhAiAImSEwZJgIIPLAlZGEIAhgkADIyAccicCegAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[2-(4-fluorophenyl)-1<I>H</I>-indol-3-yl]acetamide

> <PUBCHEM_IUPAC_NAME>
2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H13FN2O/c17-11-7-5-10(6-8-11)16-13(9-15(18)20)12-3-1-2-4-14(12)19-16/h1-8,19H,9H2,(H2,18,20)

> <PUBCHEM_IUPAC_INCHIKEY>
VMDAPOWIZJWURP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
268.10119120

> <PUBCHEM_MOLECULAR_FORMULA>
C16H13FN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
268.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)F)CC(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)F)CC(=O)N

> <PUBCHEM_CACTVS_TPSA>
58.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
268.10119120

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  15  8
10  16  8
11  13  8
12  14  8
13  14  8
15  18  8
16  19  8
18  20  8
19  20  8
3  6  8
3  8  8
5  6  8
5  7  8
7  11  8
7  8  8
8  12  8

$$$$