61148106
  -OEChem-04252409522D

 35 37  0     1  0  0  0  0  0999 V2000
   10.7619    0.6970    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.0350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.9737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.6970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.1690    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6783    0.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -1.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619    0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5436   -0.7213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2156    0.9450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272    1.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -1.5630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    1.2340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.6410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9519    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719   -0.7059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2249   -0.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4519   -1.5720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2988   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2  9  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 24  1  0  0  0  0
  4  9  1  0  0  0  0
  4 14  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  1  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 11 13  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 29  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
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 30  1  0  0  0  0
 17 20  2  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
61148106

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
362

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IAAEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgBQAAAHgIQAAAADCrBmCQywILAAACIAiVSUACCAAAhBwAIiIGIZogIYDLBk7GUIAhglADIyAcYiYCeAABAIAACAAAAAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2S)-N-(4-chloro-2-methyl-phenyl)indoline-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
(2S)-N-(4-chloro-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>S</I>)-<I>N</I>-(4-chloro-2-methylphenyl)-2,3-dihydro-1<I>H</I>-indole-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
(2S)-N-(4-chloro-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2S)-N-(4-chloranyl-2-methyl-phenyl)-2,3-dihydro-1H-indole-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S)-N-(4-chloro-2-methyl-phenyl)indoline-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H15ClN2O/c1-10-8-12(17)6-7-13(10)19-16(20)15-9-11-4-2-3-5-14(11)18-15/h2-8,15,18H,9H2,1H3,(H,19,20)/t15-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
TVMRKKKYGROQGH-HNNXBMFYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
286.0872908

> <PUBCHEM_MOLECULAR_FORMULA>
C16H15ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
286.75

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C=CC(=C1)Cl)NC(=O)C2CC3=CC=CC=C3N2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C=CC(=C1)Cl)NC(=O)[C@@H]2CC3=CC=CC=C3N2

> <PUBCHEM_CACTVS_TPSA>
41.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
286.0872908

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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  12  8
11  13  8
12  13  8
14  15  8
14  16  8
15  17  8
16  19  8
17  20  8
19  20  8
5  9  5
7  10  8
7  8  8
8  11  8

$$$$