
 CHEMBL7567

 42 44  0  0  0  0  0  0  0  0999 V2000
    5.7815    0.6665    1.9645 C   0  0  0  0  0
    4.4831    0.6858    1.2778 N   0  0  0  0  0
    4.1756   -0.4510    0.4815 C   0  0  0  0  0
    4.5420   -1.7563    0.8456 C   0  0  0  0  0
    4.2150   -2.8687    0.0487 C   0  0  0  0  0
    3.4906   -2.7143   -1.1315 C   0  0  0  0  0
    3.1176   -1.4282   -1.5111 C   0  0  0  0  0
    3.4618   -0.3229   -0.7217 C   0  0  0  0  0
    3.1849   -3.8715   -1.8813 N   0  0  0  0  0
    2.4189   -3.9340   -3.0269 C   0  0  0  0  0
    1.8168   -3.0146   -3.5673 O   0  0  0  0  0
    2.3284   -5.3088   -3.6128 C   0  0  0  0  0
    0.9741   -5.8919   -3.9468 C   0  0  0  0  0
    1.9039   -5.4878   -5.0545 C   0  0  0  0  0
    3.9143    1.9792    1.1113 C   0  0  0  0  0
    4.6904    3.1415    0.9694 C   0  0  0  0  0
    4.1039    4.4030    0.8088 C   0  0  0  0  0
    2.7171    4.5168    0.7458 C   0  0  0  0  0
    1.9241    3.3789    0.8805 C   0  0  0  0  0
    2.5176    2.1291    1.0747 C   0  0  0  0  0
    4.9882    5.4417    0.6878 O   0  0  0  0  0
    4.4878    6.7226    1.0543 C   0  0  0  0  0
    5.8483    1.4579    2.7223 H   0  0  0  0  0
    6.6023    0.7967    1.2499 H   0  0  0  0  0
    5.9528   -0.2575    2.5238 H   0  0  0  0  0
    5.0664   -1.9536    1.7751 H   0  0  0  0  0
    4.5275   -3.8533    0.3860 H   0  0  0  0  0
    2.5633   -1.2328   -2.4235 H   0  0  0  0  0
    3.1665    0.6572   -1.0880 H   0  0  0  0  0
    3.5480   -4.7432   -1.5224 H   0  0  0  0  0
    3.0791   -6.0120   -3.2612 H   0  0  0  0  0
    0.0954   -5.2773   -3.7807 H   0  0  0  0  0
    0.8150   -6.9497   -3.7801 H   0  0  0  0  0
    2.3808   -6.2679   -5.6337 H   0  0  0  0  0
    1.6486   -4.6044   -5.6303 H   0  0  0  0  0
    5.7750    3.0858    0.9617 H   0  0  0  0  0
    2.2294    5.4705    0.5759 H   0  0  0  0  0
    0.8411    3.4598    0.8298 H   0  0  0  0  0
    1.8787    1.2562    1.1940 H   0  0  0  0  0
    5.3356    7.4135    1.0899 H   0  0  0  0  0
    4.0326    6.7016    2.0507 H   0  0  0  0  0
    3.7834    7.0999    0.3067 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2 15  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  2  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 28  1  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 14  1  0  0  0
 12 13  1  0  0  0
 12 31  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 18  2  0  0  0
 17 21  1  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 19 20  2  0  0  0
 19 38  1  0  0  0
 20 39  1  0  0  0
 21 22  1  0  0  0
 22 40  1  0  0  0
 22 41  1  0  0  0
 22 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL7567

>  <PubChem CID>
44264844

>  <Formula>
C18H20N2O2

>  <Molecular Weight>
296.370000

>  <IUPAC Name>
N-[4-(3-methoxy-N-methylanilino)phenyl]cyclopropanecarboxamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(C1=CC=C(C=C1)NC(=O)C2CC2)C3=CC(=CC=C3)OC

>  <Isomeric SMILES>
CN(C1=CC=C(C=C1)NC(=O)C2CC2)C3=CC(=CC=C3)OC

>  <InChI Std. ID>
InChI=1S/C18H20N2O2/c1-20(16-4-3-5-17(12-16)22-2)15-10-8-14(9-11-15)19-18(21)13-6-7-13/h3-5,8-13H,6-7H2,1-2H3,(H,19,21)

>  <InChI Key>
CAJOTWJRWHHFGR-UHFFFAOYSA-N

