
 SMR000140824

 34 35  0  0  0  0  0  0  0  0999 V2000
    2.1397   -0.9920   -1.7175 C   0  0  0  0  0
    2.5458   -0.6659   -0.3143 C   0  0  0  0  0
    2.6291   -1.4899    0.5892 O   0  0  0  0  0
    3.0697    0.7464   -0.0688 C   0  0  0  0  0
    2.2852    1.7758    0.0978 N   0  0  0  0  0
    0.8768    1.6901    0.0741 C   0  0  0  0  0
    0.1268    2.6204   -0.6747 C   0  0  0  0  0
   -1.2715    2.5775   -0.7003 C   0  0  0  0  0
   -1.9401    1.5985    0.0249 C   0  0  0  0  0
   -1.2273    0.6861    0.7979 C   0  0  0  0  0
    0.1703    0.7531    0.8428 C   0  0  0  0  0
   -3.6576    1.5221   -0.0195 Cl  0  0  0  0  0
    0.9088    3.8629   -1.5921 Cl  0  0  0  0  0
    4.4499    0.8286   -0.0656 N   0  0  0  0  0
    5.1553    1.9942   -0.0088 N   0  0  0  0  0
    6.2591    2.2262   -0.8641 C   0  0  0  0  0
    7.1165    3.3015   -0.6073 C   0  0  0  0  0
    8.2752    3.4761   -1.3696 C   0  0  0  0  0
    8.5880    2.5963   -2.4035 C   0  0  0  0  0
    7.7382    1.5286   -2.6760 C   0  0  0  0  0
    6.5901    1.3399   -1.9021 C   0  0  0  0  0
    9.3462    4.7760   -1.0121 Cl  0  0  0  0  0
    1.8502   -0.0873   -2.2575 H   0  0  0  0  0
    1.2838   -1.6707   -1.6956 H   0  0  0  0  0
    2.9803   -1.4648   -2.2312 H   0  0  0  0  0
   -1.8313    3.3077   -1.2788 H   0  0  0  0  0
   -1.7484   -0.0713    1.3781 H   0  0  0  0  0
    0.6977    0.0603    1.4961 H   0  0  0  0  0
    4.9596   -0.0224    0.1689 H   0  0  0  0  0
    4.5892    2.8375    0.1425 H   0  0  0  0  0
    6.9049    3.9825    0.2123 H   0  0  0  0  0
    9.4915    2.7310   -2.9922 H   0  0  0  0  0
    7.9695    0.8365   -3.4820 H   0  0  0  0  0
    5.9442    0.4979   -2.1331 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  4  1  0  0  0
  2  3  2  0  0  0
  4 14  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 13  1  0  0  0
  8  9  2  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 27  1  0  0  0
 11 28  1  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 15 16  1  0  0  0
 15 30  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 31  1  0  0  0
 18 19  2  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
 19 32  1  0  0  0
 20 21  2  0  0  0
 20 33  1  0  0  0
 21 34  1  0  0  0
M  END

>  <Chemical Name>
SMR000140824

>  <PubChem CID>
1799038

>  <Formula>
C15H12Cl3N3O

>  <Molecular Weight>
356.631000

>  <IUPAC Name>
N-(3-chloroanilino)-N'-(2,4-dichlorophenyl)-2-oxopropanimidamide

>  <XlogP>
5.600

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)C(=NC1=C(C=C(C=C1)Cl)Cl)NNC2=CC(=CC=C2)Cl

>  <Isomeric SMILES>
CC(=O)C(=NC1=C(C=C(C=C1)Cl)Cl)NNC2=CC(=CC=C2)Cl

>  <InChI Std. ID>
InChI=1S/C15H12Cl3N3O/c1-9(22)15(19-14-6-5-11(17)8-13(14)18)21-20-12-4-2-3-10(16)7-12/h2-8,20H,1H3,(H,19,21)

>  <InChI Key>
BDIBTQWWJZOREX-UHFFFAOYSA-N

