
 CHEMBL38576

 50 52  0  0  0  0  0  0  0  0999 V2000
    0.7546   -0.2572    1.8411 C   0  0  0  0  0
    1.7297   -0.3052    0.7609 N   0  0  0  0  0
    2.6186   -1.4941    0.6627 C   0  0  0  0  0
    3.5499   -1.6560    1.9125 C   0  0  0  0  0
    4.5434   -2.7400    1.8277 N   0  0  0  0  0
    5.5326   -2.5498    0.7660 C   0  0  0  0  0
    6.5899   -3.5828    1.1165 C   0  0  0  0  0
    6.5351   -3.6990    2.6346 C   0  0  0  0  0
    5.3237   -2.8785    3.0580 C   0  0  0  0  0
    1.8245   -2.7405    0.2761 C   0  0  0  0  0
    1.7377   -3.1028   -1.0795 C   0  0  0  0  0
    1.0362   -4.2436   -1.4737 C   0  0  0  0  0
    0.3943   -5.0300   -0.5211 C   0  0  0  0  0
    0.4541   -4.6766    0.8245 C   0  0  0  0  0
    1.1654   -3.5413    1.2217 C   0  0  0  0  0
    1.6632    0.5464   -0.3433 C   0  0  0  0  0
    2.4231    0.4313   -1.3102 O   0  0  0  0  0
    0.6337    1.6746   -0.3446 C   0  0  0  0  0
    1.2408    3.0177   -0.0059 C   0  0  0  0  0
    2.0446    3.6848   -0.9451 C   0  0  0  0  0
    2.6222    4.9234   -0.6438 C   0  0  0  0  0
    2.4041    5.5046    0.6084 C   0  0  0  0  0
    1.6069    4.8465    1.5490 C   0  0  0  0  0
    1.0266    3.6125    1.2432 C   0  0  0  0  0
    3.0859    7.0270    1.0586 Cl  0  0  0  0  0
    3.5888    5.6797   -1.8600 Cl  0  0  0  0  0
    0.6276    0.7718    2.1825 H   0  0  0  0  0
    1.0749   -0.8457    2.7014 H   0  0  0  0  0
   -0.2030   -0.6367    1.4733 H   0  0  0  0  0
    3.3116   -1.3042   -0.1655 H   0  0  0  0  0
    2.9383   -1.8429    2.8019 H   0  0  0  0  0
    4.0548   -0.6962    2.0907 H   0  0  0  0  0
    5.9661   -1.5421    0.7923 H   0  0  0  0  0
    5.1246   -2.7340   -0.2323 H   0  0  0  0  0
    6.3430   -4.5510    0.6639 H   0  0  0  0  0
    7.5830   -3.2904    0.7616 H   0  0  0  0  0
    6.4278   -4.7492    2.9280 H   0  0  0  0  0
    7.4497   -3.3121    3.0960 H   0  0  0  0  0
    4.7543   -3.3822    3.8457 H   0  0  0  0  0
    5.6560   -1.9046    3.4394 H   0  0  0  0  0
    2.2336   -2.4988   -1.8384 H   0  0  0  0  0
    0.9977   -4.5192   -2.5242 H   0  0  0  0  0
   -0.1474   -5.9209   -0.8267 H   0  0  0  0  0
   -0.0447   -5.2913    1.5695 H   0  0  0  0  0
    1.2076   -3.3011    2.2800 H   0  0  0  0  0
   -0.2232    1.4591    0.2985 H   0  0  0  0  0
    0.2058    1.7226   -1.3552 H   0  0  0  0  0
    2.2265    3.2293   -1.9182 H   0  0  0  0  0
    1.4323    5.2918    2.5257 H   0  0  0  0  0
    0.4049    3.1263    1.9916 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2 16  1  0  0  0
  2  3  1  0  0  0
  3 10  1  0  0  0
  3  4  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  9  1  0  0  0
  5  6  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  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 39  1  0  0  0
  9 40  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 41  1  0  0  0
 12 13  2  0  0  0
 12 42  1  0  0  0
 13 14  1  0  0  0
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 14 15  2  0  0  0
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 16 17  2  0  0  0
 18 19  1  0  0  0
 18 46  1  0  0  0
 18 47  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 48  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
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 23 49  1  0  0  0
 24 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL38576

>  <PubChem CID>
3082718

>  <Formula>
C21H24Cl2N2O

>  <Molecular Weight>
391.336000

>  <IUPAC Name>
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(C(CN1CCCC1)C2=CC=CC=C2)C(=O)CC3=CC(=C(C=C3)Cl)Cl

>  <Isomeric SMILES>
CN([C@H](CN1CCCC1)C2=CC=CC=C2)C(=O)CC3=CC(=C(C=C3)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3/t20-/m1/s1

>  <InChI Key>
AEJOEPSMZCEYJN-HXUWFJFHSA-N

