
 CHEMBL228412

 49 50  0  0  0  0  0  0  0  0999 V2000
    4.5761    2.0388   -1.9343 C   0  0  0  0  0
    4.4849    2.0848   -0.4719 N   0  0  0  0  0
    5.8326    2.0380    0.1006 C   0  0  0  0  0
    3.7396    3.2884   -0.0500 C   0  0  0  0  0
    3.4138    3.2819    1.4499 C   0  0  0  0  0
    2.5706    4.4908    1.9005 C   0  0  0  0  0
    1.1754    4.6173    1.3094 C   0  0  0  0  0
    0.3907    3.5095    0.9542 C   0  0  0  0  0
   -0.9046    3.6844    0.4568 C   0  0  0  0  0
   -1.4336    4.9662    0.3267 C   0  0  0  0  0
   -0.6800    6.0774    0.6908 C   0  0  0  0  0
    0.6153    5.9025    1.1827 C   0  0  0  0  0
   -3.0312    5.1759   -0.2758 Cl  0  0  0  0  0
    2.4338    4.4597    3.3512 N   0  0  0  0  0
    3.0164    5.3852    4.1819 C   0  0  0  0  0
    3.6978    6.3254    3.7890 O   0  0  0  0  0
    2.7688    5.1274    5.6546 C   0  0  0  0  0
    3.9842    4.4887    6.3199 C   0  0  0  0  0
    4.2623    3.0875    5.8308 C   0  0  0  0  0
    5.2187    2.8684    4.8304 C   0  0  0  0  0
    5.4601    1.5807    4.3511 C   0  0  0  0  0
    4.7485    0.4999    4.8653 C   0  0  0  0  0
    3.7985    0.7055    5.8637 C   0  0  0  0  0
    3.5538    1.9937    6.3442 C   0  0  0  0  0
    3.5772    2.0107   -2.3833 H   0  0  0  0  0
    5.0874    1.1253   -2.2593 H   0  0  0  0  0
    5.1168    2.9007   -2.3415 H   0  0  0  0  0
    6.3854    1.1712   -0.2801 H   0  0  0  0  0
    5.7965    1.9108    1.1858 H   0  0  0  0  0
    6.4114    2.9402   -0.1272 H   0  0  0  0  0
    2.7970    3.3201   -0.6084 H   0  0  0  0  0
    4.2942    4.1994   -0.3091 H   0  0  0  0  0
    4.3515    3.3134    2.0163 H   0  0  0  0  0
    2.9242    2.3401    1.7284 H   0  0  0  0  0
    3.1353    5.3894    1.6188 H   0  0  0  0  0
    0.7712    2.4962    1.0588 H   0  0  0  0  0
   -1.4957    2.8159    0.1787 H   0  0  0  0  0
   -1.0929    7.0788    0.6037 H   0  0  0  0  0
    1.1898    6.7789    1.4828 H   0  0  0  0  0
    1.9467    3.6704    3.7551 H   0  0  0  0  0
    1.8732    4.5089    5.7878 H   0  0  0  0  0
    2.5520    6.0949    6.1227 H   0  0  0  0  0
    3.8263    4.4557    7.4054 H   0  0  0  0  0
    4.8727    5.1142    6.1660 H   0  0  0  0  0
    5.7736    3.7048    4.4080 H   0  0  0  0  0
    6.2020    1.4222    3.5734 H   0  0  0  0  0
    4.9373   -0.5021    4.4892 H   0  0  0  0  0
    3.2501   -0.1400    6.2708 H   0  0  0  0  0
    2.8119    2.1358    7.1267 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6 14  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  9 10  2  0  0  0
  9 37  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 38  1  0  0  0
 12 39  1  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 41  1  0  0  0
 17 42  1  0  0  0
 18 19  1  0  0  0
 18 43  1  0  0  0
 18 44  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 45  1  0  0  0
 21 22  2  0  0  0
 21 46  1  0  0  0
 22 23  1  0  0  0
 22 47  1  0  0  0
 23 24  2  0  0  0
 23 48  1  0  0  0
 24 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL228412

>  <PubChem CID>
15983445

>  <Formula>
C20H25ClN2O

>  <Molecular Weight>
344.883000

>  <IUPAC Name>
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-phenylpropanamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(C)CCC(C1=CC=C(C=C1)Cl)NC(=O)CCC2=CC=CC=C2

>  <Isomeric SMILES>
CN(C)CCC(C1=CC=C(C=C1)Cl)NC(=O)CCC2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C20H25ClN2O/c1-23(2)15-14-19(17-9-11-18(21)12-10-17)22-20(24)13-8-16-6-4-3-5-7-16/h3-7,9-12,19H,8,13-15H2,1-2H3,(H,22,24)

>  <InChI Key>
BBHIOAOQYULUDC-UHFFFAOYSA-N

