61276260
  -OEChem-04242421592D

 38 40  0     1  0  0  0  0  0999 V2000
   11.2619    2.4291    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.9010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.8398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.0350    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6783   -0.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619    1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619    1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619    0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5436   -1.5873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2156    0.0789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272    0.3366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -2.4291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    0.3679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -0.7796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3445   -0.3811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3695    1.3076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6793    0.9091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4519    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4519   -0.7059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0719   -0.7059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8819    0.6970    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 25  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  1  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  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 14  1  0  0  0  0
 10 26  1  0  0  0  0
 11 15  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 16  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 35  1  0  0  0  0
 18 20  2  0  0  0  0
 18 36  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
61276260

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
363

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgBQAAAHgIQAAAADCrBmCQwwILAAACIAiVSUACCAAAhBwAIiIGIZogIYDLBk7GUIAhglgDIyAcYiYCeAAAAIAACAAAAAABAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2S)-N-[2-(3-chlorophenyl)ethyl]indoline-2-carboxamide

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S)-N-[2-(3-chlorophenyl)ethyl]indoline-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H17ClN2O/c18-14-6-3-4-12(10-14)8-9-19-17(21)16-11-13-5-1-2-7-15(13)20-16/h1-7,10,16,20H,8-9,11H2,(H,19,21)/t16-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
VXYYGCSFNNNHEV-INIZCTEOSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
300.1029409

> <PUBCHEM_MOLECULAR_FORMULA>
C17H17ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
300.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(NC2=CC=CC=C21)C(=O)NCCC3=CC(=CC=C3)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1[C@H](NC2=CC=CC=C21)C(=O)NCCC3=CC(=CC=C3)Cl

> <PUBCHEM_CACTVS_TPSA>
41.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
300.1029409

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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  14  8
11  15  8
14  15  8
16  17  8
16  18  8
17  19  8
18  20  8
19  21  8
20  21  8
5  9  5
7  10  8
7  8  8
8  11  8

$$$$