
 SCHEMBL1993015

 44 46  0  0  0  0  0  0  0  0999 V2000
    3.6828    2.7468    0.9869 C   0  0  0  0  0
    2.7055    1.6364    0.6309 C   0  0  0  0  0
    1.3958    2.3603    0.3477 C   0  0  0  0  0
    1.4326    3.4312    1.3536 N   0  0  0  0  0
    2.8108    3.9188    1.4138 C   0  0  0  0  0
    1.2784    2.9336   -1.0737 C   0  0  0  0  0
    1.0794    1.8516   -2.1444 C   0  0  0  0  0
    1.0090    2.4656   -3.5232 C   0  0  0  0  0
    2.0422    2.2794   -4.4466 C   0  0  0  0  0
    2.0089    2.9269   -5.6867 C   0  0  0  0  0
    0.9498    3.7796   -6.0222 C   0  0  0  0  0
   -0.1016    3.9280   -5.1189 C   0  0  0  0  0
   -0.0744    3.2751   -3.8826 C   0  0  0  0  0
    1.0294    4.4573   -7.2584 N   0  0  0  0  0
    0.1700    5.4385   -7.7238 C   0  0  0  0  0
   -0.8176    5.8830   -7.1541 O   0  0  0  0  0
    0.5400    6.0419   -9.0355 C   0  0  0  0  0
    1.1491    5.3019  -10.0538 C   0  0  0  0  0
    1.4790    5.9215  -11.2658 C   0  0  0  0  0
    1.1905    7.2774  -11.4675 C   0  0  0  0  0
    0.5648    8.0106  -10.4578 C   0  0  0  0  0
    0.2365    7.3945   -9.2470 C   0  0  0  0  0
    1.5753    8.0992  -12.9365 Cl  0  0  0  0  0
    2.2422    4.9503  -12.4749 Cl  0  0  0  0  0
    4.3663    2.4303    1.7811 H   0  0  0  0  0
    4.2834    3.0211    0.1121 H   0  0  0  0  0
    2.5822    0.9760    1.4995 H   0  0  0  0  0
    3.0689    1.0226   -0.1970 H   0  0  0  0  0
    0.5416    1.7032    0.5448 H   0  0  0  0  0
    0.7925    4.1887    1.1203 H   0  0  0  0  0
    2.9515    4.7657    0.7323 H   0  0  0  0  0
    3.0547    4.2578    2.4250 H   0  0  0  0  0
    2.1618    3.5347   -1.3257 H   0  0  0  0  0
    0.4238    3.6227   -1.1015 H   0  0  0  0  0
    0.1558    1.2910   -1.9550 H   0  0  0  0  0
    1.8966    1.1226   -2.1104 H   0  0  0  0  0
    2.8921    1.6459   -4.2020 H   0  0  0  0  0
    2.8379    2.7710   -6.3717 H   0  0  0  0  0
   -0.9577    4.5592   -5.3348 H   0  0  0  0  0
   -0.9004    3.4291   -3.1915 H   0  0  0  0  0
    1.8668    4.2743   -7.7941 H   0  0  0  0  0
    1.3457    4.2405   -9.9291 H   0  0  0  0  0
    0.3254    9.0620  -10.6029 H   0  0  0  0  0
   -0.2559    7.9734   -8.4655 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
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3  6  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
 10 11  2  0  0  0
 10 38  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
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 14 15  1  0  0  0
 14 41  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
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 21 22  2  0  0  0
 21 43  1  0  0  0
 22 44  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL1993015

>  <PubChem CID>
53251732

>  <Formula>
C19H20Cl2N2O

>  <Molecular Weight>
363.282000

>  <IUPAC Name>
3,4-dichloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC(NC1)CCC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)Cl

>  <Isomeric SMILES>
C1CC(NC1)CCC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C19H20Cl2N2O/c20-17-10-6-14(12-18(17)21)19(24)23-16-8-4-13(5-9-16)3-7-15-2-1-11-22-15/h4-6,8-10,12,15,22H,1-3,7,11H2,(H,23,24)

>  <InChI Key>
AJLQUOXNZAXTHI-UHFFFAOYSA-N

