
 CHEMBL229182

 40 40  0  0  0  0  0  0  0  0999 V2000
   -2.1293   -0.2235   -0.8913 C   0  0  0  0  0
   -1.3532   -1.0880   -0.1163 C   0  0  0  0  0
    0.0385   -1.0766   -0.2346 C   0  0  0  0  0
    0.6681   -0.1956   -1.1391 C   0  0  0  0  0
   -0.1191    0.6778   -1.9011 C   0  0  0  0  0
   -1.5133    0.6598   -1.7821 C   0  0  0  0  0
    2.0215   -0.1433   -1.2725 O   0  0  0  0  0
    2.9032   -1.1579   -1.0615 C   0  0  0  0  0
    4.2020   -0.8489   -0.6528 C   0  0  0  0  0
    5.1411   -1.8614   -0.4292 C   0  0  0  0  0
    4.7951   -3.2178   -0.6250 C   0  0  0  0  0
    3.4866   -3.5179   -1.0554 C   0  0  0  0  0
    2.5538   -2.5030   -1.2727 C   0  0  0  0  0
    5.7617   -4.3463   -0.3988 C   0  0  0  0  0
    5.3831   -5.4928   -0.6046 O   0  0  0  0  0
    7.0416   -4.1356    0.0292 N   0  0  0  0  0
    7.9542   -5.2468    0.2400 C   0  0  0  0  0
    9.3235   -4.7497    0.7181 C   0  0  0  0  0
   10.2910   -5.9154    0.9372 C   0  0  0  0  0
   11.5820   -5.4192    1.4018 N   0  0  0  0  0
    1.8459    0.0288    2.7394 Cl  0  0  0  0  0
   -3.2073   -0.2345   -0.7986 H   0  0  0  0  0
   -1.8305   -1.7656    0.5800 H   0  0  0  0  0
    0.6205   -1.7447    0.3860 H   0  0  0  0  0
    0.3499    1.3665   -2.5920 H   0  0  0  0  0
   -2.1152    1.3320   -2.3789 H   0  0  0  0  0
    4.4857    0.1851   -0.4978 H   0  0  0  0  0
    6.1238   -1.5617   -0.1073 H   0  0  0  0  0
    3.1834   -4.5428   -1.2263 H   0  0  0  0  0
    1.5633   -2.7702   -1.6156 H   0  0  0  0  0
    7.3831   -3.1848    0.2114 H   0  0  0  0  0
    8.0811   -5.8030   -0.7151 H   0  0  0  0  0
    7.5272   -5.9329    1.0049 H   0  0  0  0  0
    9.1987   -4.1942    1.6736 H   0  0  0  0  0
    9.7465   -4.0598   -0.0451 H   0  0  0  0  0
   10.4279   -6.4801   -0.0123 H   0  0  0  0  0
    9.8715   -6.6039    1.7035 H   0  0  0  0  0
   12.0109   -4.8235    0.6561 H   0  0  0  0  0
   12.2148   -6.2361    1.5619 H   0  0  0  0  0
    2.5664   -0.9093    2.0378 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3  4  2  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 25  1  0  0  0
  6 26  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
 10 11  2  0  0  0
 10 28  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 29  1  0  0  0
 13 30  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 31  1  0  0  0
 17 18  1  0  0  0
 17 32  1  0  0  0
 17 33  1  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
 18 35  1  0  0  0
 19 20  1  0  0  0
 19 36  1  0  0  0
 19 37  1  0  0  0
 20 38  1  0  0  0
 20 39  1  0  0  0
 21 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL229182

>  <PubChem CID>
16737348

>  <Formula>
C16H19ClN2O2

>  <Molecular Weight>
306.790000

>  <IUPAC Name>
N-(3-aminopropyl)-4-phenoxybenzamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)NCCCN.Cl

>  <Isomeric SMILES>
C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)NCCCN.Cl

>  <InChI Std. ID>
InChI=1S/C16H18N2O2.ClH/c17-11-4-12-18-16(19)13-7-9-15(10-8-13)20-14-5-2-1-3-6-14;/h1-3,5-10H,4,11-12,17H2,(H,18,19);1H

>  <InChI Key>
ALNYSTUMOZNCIA-UHFFFAOYSA-N

