
 CHEMBL3353486

 49 51  0  0  0  0  0  0  0  0999 V2000
    1.6123    0.8890    1.0734 C   0  0  0  0  0
    3.1163    0.6296    0.9578 C   0  0  0  0  0
    4.0112    1.6445    1.7326 C   0  0  0  0  0
    4.6440    0.4585    2.4727 C   0  0  0  0  0
    3.4953   -0.3065    2.0416 N   0  0  0  0  0
    3.1183   -1.6134    2.2176 C   0  0  0  0  0
    2.2363   -2.1268    1.5320 O   0  0  0  0  0
    3.8566   -2.3446    3.3323 C   0  0  0  0  0
    3.1404   -3.5198    3.9713 C   0  0  0  0  0
    1.7482   -3.5481    4.1481 C   0  0  0  0  0
    1.1291   -4.6283    4.7845 C   0  0  0  0  0
    1.9003   -5.6776    5.2757 C   0  0  0  0  0
    3.2852   -5.6545    5.1387 C   0  0  0  0  0
    3.9020   -4.5790    4.4935 C   0  0  0  0  0
    1.1390   -7.0042    6.0646 Cl  0  0  0  0  0
    3.6924    0.2132   -0.4772 C   0  0  0  0  0
    4.4665   -0.7499   -0.6052 O   0  0  0  0  0
    3.4195    1.0203   -1.5980 N   0  0  0  0  0
    2.5077    2.1474   -1.5939 C   0  0  0  0  0
    3.9590    0.6111   -2.8939 C   0  0  0  0  0
    3.0212   -0.2718   -3.6822 C   0  0  0  0  0
    2.0928    0.2749   -4.5799 C   0  0  0  0  0
    1.2485   -0.5580   -5.3196 C   0  0  0  0  0
    1.3274   -1.9412   -5.1634 C   0  0  0  0  0
    2.2355   -2.4983   -4.2683 C   0  0  0  0  0
    3.0756   -1.6659   -3.5263 C   0  0  0  0  0
    0.2961   -2.9643   -6.0857 Cl  0  0  0  0  0
    1.2729    0.8340    2.1145 H   0  0  0  0  0
    1.0403    0.1538    0.4992 H   0  0  0  0  0
    1.3373    1.8874    0.7302 H   0  0  0  0  0
    3.4658    2.3396    2.3829 H   0  0  0  0  0
    4.7125    2.2231    1.1217 H   0  0  0  0  0
    5.5831    0.0870    2.0538 H   0  0  0  0  0
    4.7304    0.5858    3.5529 H   0  0  0  0  0
    4.0838   -1.6399    4.1394 H   0  0  0  0  0
    4.8057   -2.6848    2.8998 H   0  0  0  0  0
    1.1223   -2.7385    3.7761 H   0  0  0  0  0
    0.0480   -4.6419    4.8893 H   0  0  0  0  0
    3.8898   -6.4676    5.5307 H   0  0  0  0  0
    4.9853   -4.5742    4.4014 H   0  0  0  0  0
    1.4797    1.7730   -1.6103 H   0  0  0  0  0
    2.6720    2.7794   -2.4707 H   0  0  0  0  0
    2.6775    2.7606   -0.7071 H   0  0  0  0  0
    4.9152    0.0923   -2.7573 H   0  0  0  0  0
    4.2052    1.5123   -3.4723 H   0  0  0  0  0
    2.0259    1.3515   -4.7168 H   0  0  0  0  0
    0.5367   -0.1251   -6.0166 H   0  0  0  0  0
    2.2971   -3.5755   -4.1394 H   0  0  0  0  0
    3.7795   -2.1104   -2.8231 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  5  1  0  0  0
  2  3  1  0  0  0
  2 16  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 11 12  2  0  0  0
 11 38  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 39  1  0  0  0
 14 40  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
 19 41  1  0  0  0
 19 42  1  0  0  0
 19 43  1  0  0  0
 20 21  1  0  0  0
 20 44  1  0  0  0
 20 45  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 46  1  0  0  0
 23 24  2  0  0  0
 23 47  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 48  1  0  0  0
 26 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3353486

>  <PubChem CID>
89900324

>  <Formula>
C21H22Cl2N2O2

>  <Molecular Weight>
405.319000

>  <IUPAC Name>
1-[2-(4-chlorophenyl)acetyl]-N-[(4-chlorophenyl)methyl]-N,2-dimethylazetidine-2-carboxamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1(CCN1C(=O)CC2=CC=C(C=C2)Cl)C(=O)N(C)CC3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
CC1(CCN1C(=O)CC2=CC=C(C=C2)Cl)C(=O)N(C)CC3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C21H22Cl2N2O2/c1-21(20(27)24(2)14-16-5-9-18(23)10-6-16)11-12-25(21)19(26)13-15-3-7-17(22)8-4-15/h3-10H,11-14H2,1-2H3

>  <InChI Key>
FVLUWMHVUGCKAU-UHFFFAOYSA-N

