2814763
  -OEChem-05251300502D

 30 32  0     0  0  0  0  0  0999 V2000
    2.0000   -0.8310    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.6279   -0.6970    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    1.0350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.9737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -0.6970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -1.2251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369    1.5630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.9790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179   -1.2340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8179   -2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8179    0.7059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4379   -2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4379    0.7059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 20  1  0  0  0  0
  3 12  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 22  1  0  0  0  0
  5 12  1  0  0  0  0
  5 15  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 21  1  0  0  0  0
 10 13  2  0  0  0  0
 10 23  1  0  0  0  0
 11 14  2  0  0  0  0
 11 24  1  0  0  0  0
 13 14  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 27  1  0  0  0  0
 17 19  2  0  0  0  0
 17 28  1  0  0  0  0
 18 20  2  0  0  0  0
 18 29  1  0  0  0  0
 19 20  1  0  0  0  0
 19 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2814763

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
360

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIQAEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHwIQAAAADAqBnigwwPLJkACoAyVyVACCgCAnByAImSGwZtgIYPLBl7GUIQhglADIyYcYiYCeAABAIAACAAAAAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-chloro-N-(4-fluorophenyl)-1H-indole-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-chloro-N-(4-fluorophenyl)-1H-indole-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
5-chloro-N-(4-fluorophenyl)-1H-indole-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-chloranyl-N-(4-fluorophenyl)-1H-indole-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-chloro-N-(4-fluorophenyl)-1H-indole-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H10ClFN2O/c16-10-1-6-13-9(7-10)8-14(19-13)15(20)18-12-4-2-11(17)3-5-12/h1-8,19H,(H,18,20)

> <PUBCHEM_IUPAC_INCHIKEY>
LOCMEPYLSSMJJB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
288.046569

> <PUBCHEM_MOLECULAR_FORMULA>
C15H10ClFN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
288.704103

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1NC(=O)C2=CC3=C(N2)C=CC(=C3)Cl)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1NC(=O)C2=CC3=C(N2)C=CC(=C3)Cl)F

> <PUBCHEM_CACTVS_TPSA>
44.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
288.046569

> <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>
9

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
11  14  8
13  14  8
15  16  8
15  17  8
16  18  8
17  19  8
18  20  8
19  20  8
4  7  8
4  8  8
6  10  8
6  7  8
6  9  8
7  11  8
8  9  8

$$$$