
 CHEMBL224519

 44 46  0  0  0  0  0  0  0  0999 V2000
    0.3778   -1.1262    0.7631 C   0  0  0  0  0
   -0.6013   -0.2084    1.4681 C   0  0  0  0  0
   -0.8255    0.9160    0.5451 N   0  0  0  0  0
    0.5034    1.1580   -0.0628 C   0  0  0  0  0
    1.2852   -0.1695    0.0013 C   0  0  0  0  0
    1.6402   -0.7027   -1.3043 N   0  0  0  0  0
    2.8000   -0.3086   -1.9389 C   0  0  0  0  0
    3.6060    0.4679   -1.4366 O   0  0  0  0  0
    3.0031   -0.9197   -3.3141 C   0  0  0  0  0
    2.3654   -0.1439   -4.4423 C   0  0  0  0  0
    1.8534   -0.8323   -5.5527 C   0  0  0  0  0
    1.3117   -0.1356   -6.6347 C   0  0  0  0  0
    1.2823    1.2568   -6.6240 C   0  0  0  0  0
    1.8023    1.9534   -5.5359 C   0  0  0  0  0
    2.3498    1.2585   -4.4559 C   0  0  0  0  0
   -1.8295    0.6314   -0.4935 C   0  0  0  0  0
   -3.2169    0.3872    0.0678 C   0  0  0  0  0
   -3.8999   -0.8040   -0.2214 C   0  0  0  0  0
   -5.1693   -1.0475    0.3156 C   0  0  0  0  0
   -5.7714   -0.0953    1.1440 C   0  0  0  0  0
   -5.1039    1.0991    1.4263 C   0  0  0  0  0
   -3.8368    1.3401    0.8892 C   0  0  0  0  0
   -7.3290   -0.3352    1.8521 Cl  0  0  0  0  0
   -5.9303   -2.5483   -0.0794 Cl  0  0  0  0  0
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    0.9127   -1.1180   -1.8728 H   0  0  0  0  0
    2.6091   -1.9440   -3.2898 H   0  0  0  0  0
    4.0810   -1.0027   -3.4972 H   0  0  0  0  0
    1.8856   -1.9192   -5.5918 H   0  0  0  0  0
    0.9240   -0.6793   -7.4924 H   0  0  0  0  0
    0.8679    1.8000   -7.4692 H   0  0  0  0  0
    1.7962    3.0405   -5.5324 H   0  0  0  0  0
    2.7764    1.8290   -3.6321 H   0  0  0  0  0
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   -5.5607    1.8457    2.0716 H   0  0  0  0  0
   -3.3200    2.2687    1.1286 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
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  3  4  1  0  0  0
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  4  5  1  0  0  0
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  4 30  1  0  0  0
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  6 32  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL224519

>  <PubChem CID>
11202371

>  <Formula>
C19H20Cl2N2O

>  <Molecular Weight>
363.282000

>  <IUPAC Name>
N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-2-phenylacetamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CC1NC(=O)CC2=CC=CC=C2)CC3=CC(=C(C=C3)Cl)Cl

>  <Isomeric SMILES>
C1CN(CC1NC(=O)CC2=CC=CC=C2)CC3=CC(=C(C=C3)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C19H20Cl2N2O/c20-17-7-6-15(10-18(17)21)12-23-9-8-16(13-23)22-19(24)11-14-4-2-1-3-5-14/h1-7,10,16H,8-9,11-13H2,(H,22,24)

>  <InChI Key>
HIRYXRSGVDWVGH-UHFFFAOYSA-N

