
 CHEMBL68119

 37 38  0  0  0  0  0  0  0  0999 V2000
    2.7979   -7.8533   -1.6891 C   0  0  0  0  0
    2.3855   -6.9240   -2.7981 C   0  0  0  0  0
    2.1810   -7.4531   -4.0853 C   0  0  0  0  0
    1.7800   -6.6345   -5.1398 C   0  0  0  0  0
    1.5777   -5.2778   -4.9214 C   0  0  0  0  0
    1.7775   -4.7408   -3.6481 C   0  0  0  0  0
    2.2048   -5.5424   -2.5752 C   0  0  0  0  0
    2.3291   -5.0084   -1.2667 N   0  0  0  0  0
    2.0909   -3.6802   -0.9907 N   0  0  0  0  0
    2.4873   -3.0831    0.2013 C   0  0  0  0  0
    3.6106   -3.0768    0.8430 N   0  0  0  0  0
    4.7978   -3.7093    0.4365 C   0  0  0  0  0
    5.2224   -3.7672   -0.8978 C   0  0  0  0  0
    6.4234   -4.3945   -1.2491 C   0  0  0  0  0
    7.2486   -4.9315   -0.2646 C   0  0  0  0  0
    6.8752   -4.8393    1.0733 C   0  0  0  0  0
    5.6620   -4.2345    1.4186 C   0  0  0  0  0
    5.2635   -4.1406    3.1030 Cl  0  0  0  0  0
    1.3682   -2.2740    0.8810 C   0  0  0  0  0
    0.4450   -1.8677    0.1832 O   0  0  0  0  0
    1.4452   -2.1042    2.3698 C   0  0  0  0  0
    2.7506   -8.9011   -2.0046 H   0  0  0  0  0
    2.1303   -7.7452   -0.8282 H   0  0  0  0  0
    3.8271   -7.6399   -1.3836 H   0  0  0  0  0
    2.3209   -8.5159   -4.2711 H   0  0  0  0  0
    1.6173   -7.0577   -6.1276 H   0  0  0  0  0
    1.2594   -4.6344   -5.7375 H   0  0  0  0  0
    1.6112   -3.6759   -3.5109 H   0  0  0  0  0
    3.0951   -5.4419   -0.7476 H   0  0  0  0  0
    1.1279   -3.4048   -1.2234 H   0  0  0  0  0
    4.6191   -3.3253   -1.6869 H   0  0  0  0  0
    6.7169   -4.4512   -2.2951 H   0  0  0  0  0
    8.1881   -5.4065   -0.5366 H   0  0  0  0  0
    7.5320   -5.2317    1.8454 H   0  0  0  0  0
    1.5574   -3.0814    2.8478 H   0  0  0  0  0
    0.5169   -1.6516    2.7294 H   0  0  0  0  0
    2.2805   -1.4514    2.6321 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  4  5  2  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  6  7  2  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
 10 19  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 31  1  0  0  0
 14 15  2  0  0  0
 14 32  1  0  0  0
 15 16  1  0  0  0
 15 33  1  0  0  0
 16 17  2  0  0  0
 16 34  1  0  0  0
 17 18  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 35  1  0  0  0
 21 36  1  0  0  0
 21 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL68119

>  <PubChem CID>
11087955

>  <Formula>
C16H16ClN3O

>  <Molecular Weight>
301.774000

>  <IUPAC Name>
N'-(2-chlorophenyl)-N-(2-methylanilino)-2-oxopropanimidamide

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=CC=C1NNC(=NC2=CC=CC=C2Cl)C(=O)C

>  <Isomeric SMILES>
CC1=CC=CC=C1NNC(=NC2=CC=CC=C2Cl)C(=O)C

>  <InChI Std. ID>
InChI=1S/C16H16ClN3O/c1-11-7-3-5-9-14(11)19-20-16(12(2)21)18-15-10-6-4-8-13(15)17/h3-10,19H,1-2H3,(H,18,20)

>  <InChI Key>
AKKQCLGXWONYPW-UHFFFAOYSA-N

