
 CHEMBL1770303

 44 46  0  0  0  0  0  0  0  0999 V2000
   -0.5017    1.4724   -1.4946 C   0  0  0  0  0
    0.4842    1.3216   -2.4629 C   0  0  0  0  0
    1.8215    1.1624   -2.0842 C   0  0  0  0  0
    2.1846    1.1450   -0.7311 C   0  0  0  0  0
    1.1866    1.3085    0.2325 C   0  0  0  0  0
   -0.1494    1.4681   -0.1457 C   0  0  0  0  0
    3.5535    0.9777   -0.4270 N   0  0  0  0  0
    4.1173    0.7788    0.8301 C   0  0  0  0  0
    3.4807    0.5759    1.8643 O   0  0  0  0  0
    5.6657    0.6942    0.7908 C   0  0  0  0  0
    6.4205    1.4217    1.8995 C   0  0  0  0  0
    7.8180    1.2435    1.9783 C   0  0  0  0  0
    8.5712    1.8493    2.9853 C   0  0  0  0  0
    7.9378    2.6558    3.9237 C   0  0  0  0  0
    6.5639    2.8688    3.8527 C   0  0  0  0  0
    5.8101    2.2616    2.8418 C   0  0  0  0  0
    8.8566    3.3899    5.1788 Cl  0  0  0  0  0
    5.9707   -0.7235    0.8663 N   0  0  0  0  0
    6.2042   -1.5076   -0.2303 C   0  0  0  0  0
    6.2264   -1.0451   -1.3671 O   0  0  0  0  0
    6.3996   -2.9711    0.0238 C   0  0  0  0  0
    6.4325   -3.8168   -1.0958 C   0  0  0  0  0
    6.5595   -5.1998   -0.9417 C   0  0  0  0  0
    6.6627   -5.7527    0.3326 C   0  0  0  0  0
    6.6564   -4.9263    1.4555 C   0  0  0  0  0
    6.5309   -3.5420    1.3019 C   0  0  0  0  0
    6.5355   -2.7582    2.4269 O   0  0  0  0  0
   -1.5430    1.5922   -1.7840 H   0  0  0  0  0
    0.2139    1.3243   -3.5169 H   0  0  0  0  0
    2.5702    1.0435   -2.8629 H   0  0  0  0  0
    1.4136    1.3197    1.2937 H   0  0  0  0  0
   -0.9152    1.5894    0.6170 H   0  0  0  0  0
    4.1785    0.8711   -1.2207 H   0  0  0  0  0
    6.0204    1.1030   -0.1638 H   0  0  0  0  0
    8.3264    0.6074    1.2533 H   0  0  0  0  0
    9.6432    1.6802    3.0321 H   0  0  0  0  0
    6.0668    3.4994    4.5852 H   0  0  0  0  0
    4.7380    2.4468    2.8266 H   0  0  0  0  0
    5.8602   -1.1803    1.7695 H   0  0  0  0  0
    6.3461   -3.4006   -2.0979 H   0  0  0  0  0
    6.5682   -5.8435   -1.8178 H   0  0  0  0  0
    6.7465   -6.8306    0.4514 H   0  0  0  0  0
    6.7379   -5.3784    2.4399 H   0  0  0  0  0
    6.7596   -3.3077    3.1987 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  2  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 18  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 13 14  2  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 37  1  0  0  0
 16 38  1  0  0  0
 18 19  1  0  0  0
 18 39  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 40  1  0  0  0
 23 24  2  0  0  0
 23 41  1  0  0  0
 24 25  1  0  0  0
 24 42  1  0  0  0
 25 26  2  0  0  0
 25 43  1  0  0  0
 26 27  1  0  0  0
 27 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1770303

>  <PubChem CID>
54581782

>  <Formula>
C21H17ClN2O3

>  <Molecular Weight>
380.828000

>  <IUPAC Name>
N-[2-anilino-1-(4-chlorophenyl)-2-oxoethyl]-2-hydroxybenzamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C=C1)NC(=O)C(C2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC=C3O

>  <Isomeric SMILES>
C1=CC=C(C=C1)NC(=O)C(C2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC=C3O

>  <InChI Std. ID>
InChI=1S/C21H17ClN2O3/c22-15-12-10-14(11-13-15)19(21(27)23-16-6-2-1-3-7-16)24-20(26)17-8-4-5-9-18(17)25/h1-13,19,25H,(H,23,27)(H,24,26)

>  <InChI Key>
AIVTXGMGZMXUBO-UHFFFAOYSA-N

