
 CHEMBL184185

 33 34  0  0  0  0  0  0  0  0999 V2000
    0.5539    1.1718    1.0145 C   0  0  0  0  0
    0.1402    0.9831    2.3293 C   0  0  0  0  0
    0.9100    0.2049    3.1920 C   0  0  0  0  0
    2.0849   -0.3981    2.7297 C   0  0  0  0  0
    2.4952   -0.2466    1.3937 C   0  0  0  0  0
    1.7262    0.5669    0.5528 C   0  0  0  0  0
    3.6668   -0.9121    0.9467 N   0  0  0  0  0
    3.9964   -1.1687   -0.3664 C   0  0  0  0  0
    3.2802   -0.9126   -1.3281 O   0  0  0  0  0
    5.2287   -1.7700   -0.4852 N   0  0  0  0  0
    5.8844   -2.2341   -1.6593 C   0  0  0  0  0
    5.3151   -2.4614   -2.9317 C   0  0  0  0  0
    6.1094   -2.8946   -4.0238 C   0  0  0  0  0
    7.4780   -3.1228   -3.8290 C   0  0  0  0  0
    8.0383   -2.9377   -2.5639 C   0  0  0  0  0
    7.2515   -2.5036   -1.4952 C   0  0  0  0  0
    8.5768   -3.5690   -5.0887 Cl  0  0  0  0  0
    5.4997   -3.1107   -5.3690 C   0  0  0  0  0
    5.8240   -4.0345   -6.1017 O   0  0  0  0  0
    4.5297   -2.2269   -5.7629 N   0  0  0  0  0
    3.9710   -2.3332   -3.1785 O   0  0  0  0  0
    3.0850   -1.4506    3.9587 Br  0  0  0  0  0
   -0.0351    1.7878    0.3385 H   0  0  0  0  0
   -0.7789    1.4454    2.6807 H   0  0  0  0  0
    0.5813    0.0686    4.2191 H   0  0  0  0  0
    2.0164    0.7607   -0.4759 H   0  0  0  0  0
    4.1452   -1.4533    1.6555 H   0  0  0  0  0
    5.8091   -1.6933    0.3385 H   0  0  0  0  0
    9.1004   -3.1165   -2.4058 H   0  0  0  0  0
    7.7395   -2.3631   -0.5327 H   0  0  0  0  0
    4.0198   -1.7297   -5.0387 H   0  0  0  0  0
    4.0093   -2.4883   -6.5900 H   0  0  0  0  0
    3.5471   -1.8392   -2.4465 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3  4  2  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 26  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 21  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 29  1  0  0  0
 16 30  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 31  1  0  0  0
 20 32  1  0  0  0
 21 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL184185

>  <PubChem CID>
44393541

>  <Formula>
C14H11BrClN3O3

>  <Molecular Weight>
384.614000

>  <IUPAC Name>
3-[(2-bromophenyl)carbamoylamino]-6-chloro-2-hydroxybenzamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C(=C1)NC(=O)NC2=C(C(=C(C=C2)Cl)C(=O)N)O)Br

>  <Isomeric SMILES>
C1=CC=C(C(=C1)NC(=O)NC2=C(C(=C(C=C2)Cl)C(=O)N)O)Br

>  <InChI Std. ID>
InChI=1S/C14H11BrClN3O3/c15-7-3-1-2-4-9(7)18-14(22)19-10-6-5-8(16)11(12(10)20)13(17)21/h1-6,20H,(H2,17,21)(H2,18,19,22)

>  <InChI Key>
HXWAIGPPSSSOED-UHFFFAOYSA-N

