66792228
  -OEChem-05062423182D

 38 40  0     1  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
    7.6279   -1.0350    0.0000 O   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
    5.5443   -0.9737    0.0000 N   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
    6.1279   -0.1690    0.0000 C   0  0  3  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
    7.1279   -0.1690    0.0000 C   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
    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
    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
    8.3179    0.1601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2356    2.1736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5453    1.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5453   -0.3810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2356   -0.7796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7105    1.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0202    2.1736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0202   -0.7796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7105   -0.3810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1029    0.2985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1029    1.0956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4096   -0.7213    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
    6.0817    0.9450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2933    1.2026    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
  1 18  1  0  0  0  0
  2 13  2  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  3 32  1  0  0  0  0
  4 11  1  0  0  0  0
  4 15  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 31  1  0  0  0  0
 12 14  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 36  1  0  0  0  0
 17 19  2  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 19 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
66792228

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
330

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIAAEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgBAAAAHgIQAAAADCrBmCQwwILAAACIAiVSUACCAAAhBwAIiIGIZogIYDLBk7GUIAhglgDIyAcYiYCeAABAIAACAAAAAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-chloro-N-cyclohexyl-indoline-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-chloro-N-cyclohexyl-2,3-dihydro-1H-indole-2-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-chloro-<I>N</I>-cyclohexyl-2,3-dihydro-1<I>H</I>-indole-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
5-chloro-N-cyclohexyl-2,3-dihydro-1H-indole-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-chloranyl-N-cyclohexyl-2,3-dihydro-1H-indole-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-chloro-N-cyclohexyl-indoline-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H19ClN2O/c16-11-6-7-13-10(8-11)9-14(18-13)15(19)17-12-4-2-1-3-5-12/h6-8,12,14,18H,1-5,9H2,(H,17,19)

> <PUBCHEM_IUPAC_INCHIKEY>
GLPUBDVSDCSETQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
278.1185909

> <PUBCHEM_MOLECULAR_FORMULA>
C15H19ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
278.78

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)NC(=O)C2CC3=C(N2)C=CC(=C3)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)NC(=O)C2CC3=C(N2)C=CC(=C3)Cl

> <PUBCHEM_CACTVS_TPSA>
41.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
278.1185909

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
11  13  3
14  15  8
14  16  8
15  17  8
16  18  8
17  19  8
18  19  8

$$$$