
 CHEMBL3951053

 46 48  0  0  0  0  0  0  0  0999 V2000
    2.4443    2.4261    4.0548 C   0  0  0  0  0
    3.4287    3.2104    3.1995 C   0  0  0  0  0
    4.7069    3.5166    3.9505 C   0  0  0  0  0
    4.7458    4.7009    4.7083 C   0  0  0  0  0
    5.8517    5.0133    5.4920 C   0  0  0  0  0
    6.9396    4.1478    5.5306 C   0  0  0  0  0
    6.9452    2.9608    4.7791 C   0  0  0  0  0
    5.8111    2.6339    3.9980 C   0  0  0  0  0
    5.7782    1.4547    3.2147 N   0  0  0  0  0
    6.1755    1.5318    1.8251 C   0  0  0  0  0
    6.1338    0.0943    1.3543 C   0  0  0  0  0
    6.4375   -0.7257    2.6029 C   0  0  0  0  0
    6.0284    0.1839    3.7386 C   0  0  0  0  0
    5.9194   -0.1861    4.8955 O   0  0  0  0  0
    4.8040   -0.2222    0.6760 C   0  0  0  0  0
    4.7545   -0.2231   -0.5521 O   0  0  0  0  0
    3.7307   -0.4258    1.5222 N   0  0  0  0  0
    2.3911   -0.6870    1.1590 C   0  0  0  0  0
    1.8992   -0.5949   -0.1443 C   0  0  0  0  0
    0.5524   -0.8610   -0.4029 C   0  0  0  0  0
   -0.3124   -1.2298    0.6248 C   0  0  0  0  0
    0.1708   -1.3264    1.9267 C   0  0  0  0  0
    1.5140   -1.0487    2.1923 C   0  0  0  0  0
   -0.0531   -0.7231   -2.0094 Cl  0  0  0  0  0
    8.1736    2.0938    4.8575 C   0  0  0  0  0
    1.5221    2.2410    3.4947 H   0  0  0  0  0
    2.1817    2.9763    4.9648 H   0  0  0  0  0
    2.8599    1.4586    4.3548 H   0  0  0  0  0
    2.9615    4.1505    2.8787 H   0  0  0  0  0
    3.6296    2.6625    2.2756 H   0  0  0  0  0
    3.8969    5.3819    4.7050 H   0  0  0  0  0
    5.8630    5.9277    6.0795 H   0  0  0  0  0
    7.7945    4.4079    6.1517 H   0  0  0  0  0
    7.2015    1.9163    1.7747 H   0  0  0  0  0
    5.5196    2.1983    1.2584 H   0  0  0  0  0
    6.9075   -0.0905    0.5989 H   0  0  0  0  0
    5.8914   -1.6703    2.6462 H   0  0  0  0  0
    7.5123   -0.9149    2.6968 H   0  0  0  0  0
    3.9050   -0.4400    2.5198 H   0  0  0  0  0
    2.5345   -0.3028   -0.9736 H   0  0  0  0  0
   -1.3582   -1.4401    0.4171 H   0  0  0  0  0
   -0.4955   -1.6183    2.7347 H   0  0  0  0  0
    1.8660   -1.1351    3.2182 H   0  0  0  0  0
    8.4516    1.7082    3.8721 H   0  0  0  0  0
    8.0123    1.2623    5.5488 H   0  0  0  0  0
    9.0374    2.6641    5.2173 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  7  8  2  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 11 15  1  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 12 38  1  0  0  0
 13 14  2  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 20 21  2  0  0  0
 20 24  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 22 23  2  0  0  0
 22 42  1  0  0  0
 23 43  1  0  0  0
 25 44  1  0  0  0
 25 45  1  0  0  0
 25 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3951053

>  <PubChem CID>
68365602

>  <Formula>
C20H21ClN2O2

>  <Molecular Weight>
356.850000

>  <IUPAC Name>
N-(3-chlorophenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCC1=CC=CC(=C1N2CC(CC2=O)C(=O)NC3=CC(=CC=C3)Cl)C

>  <Isomeric SMILES>
CCC1=CC=CC(=C1N2CC(CC2=O)C(=O)NC3=CC(=CC=C3)Cl)C

>  <InChI Std. ID>
InChI=1S/C20H21ClN2O2/c1-3-14-7-4-6-13(2)19(14)23-12-15(10-18(23)24)20(25)22-17-9-5-8-16(21)11-17/h4-9,11,15H,3,10,12H2,1-2H3,(H,22,25)

>  <InChI Key>
DXMRLDNXWFWFQP-UHFFFAOYSA-N

