61149045
  -OEChem-05082418002D

 32 34  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
    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   -0.7059    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
    9.5719    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  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 23  1  0  0  0  0
  4  9  1  0  0  0  0
  4 14  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  1  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  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 24  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 27  1  0  0  0  0
 13 28  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 29  1  0  0  0  0
 16 18  2  0  0  0  0
 16 30  1  0  0  0  0
 17 19  2  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
61149045

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
328

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgBQAAAHgIQAAAADCrBmCQwwILAAACIAiVSUACCAAAhBwAIiIGIZogIYDLBk7GUIAhglADIyAcYiYCeAABAAAACAAAAAIAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2S)-N-(4-chlorophenyl)indoline-2-carboxamide

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S)-N-(4-chlorophenyl)indoline-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H13ClN2O/c16-11-5-7-12(8-6-11)17-15(19)14-9-10-3-1-2-4-13(10)18-14/h1-8,14,18H,9H2,(H,17,19)/t14-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
YLDLBQCDENXUMH-AWEZNQCLSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
272.0716407

> <PUBCHEM_MOLECULAR_FORMULA>
C15H13ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
272.73

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(NC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1[C@H](NC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)Cl

> <PUBCHEM_CACTVS_TPSA>
41.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
272.0716407

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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  18  8
17  19  8
18  19  8
5  9  5
7  10  8
7  8  8
8  11  8

$$$$