
 CHEMBL1385271

 41 43  0  0  0  0  0  0  0  0999 V2000
    1.5151   -0.5334    0.2368 C   0  0  0  0  0
    1.5470    0.8827    0.0844 O   0  0  0  0  0
    2.7976    1.4633    0.0812 C   0  0  0  0  0
    2.8291    2.8326    0.4054 C   0  0  0  0  0
    4.0488    3.5025    0.4320 C   0  0  0  0  0
    5.2291    2.8175    0.1081 C   0  0  0  0  0
    5.2013    1.4632   -0.2495 C   0  0  0  0  0
    3.9771    0.7916   -0.2561 C   0  0  0  0  0
    6.4246    0.8572   -0.6056 N   0  0  0  0  0
    6.6501   -0.4608   -0.9688 C   0  0  0  0  0
    5.8012   -1.3471   -0.9908 O   0  0  0  0  0
    8.0313   -0.7263   -1.3283 C   0  0  0  0  0
    8.6623   -1.9076   -1.6718 C   0  0  0  0  0
   10.0140   -1.5867   -1.9372 C   0  0  0  0  0
   10.1286   -0.2300   -1.7455 C   0  0  0  0  0
    8.9371    0.3034   -1.3698 O   0  0  0  0  0
    1.5856    3.4275    0.6960 N   0  0  0  0  0
    1.2957    4.7317    1.0247 C   0  0  0  0  0
    2.0876    5.6661    1.0749 O   0  0  0  0  0
   -0.1538    5.0031    1.2586 C   0  0  0  0  0
   -0.6668    6.1927    0.7148 C   0  0  0  0  0
   -2.0218    6.5075    0.8430 C   0  0  0  0  0
   -2.8766    5.6420    1.5207 C   0  0  0  0  0
   -2.3742    4.4684    2.0826 C   0  0  0  0  0
   -1.0159    4.1476    1.9609 C   0  0  0  0  0
   -0.4950    2.6947    2.7400 Cl  0  0  0  0  0
    0.4763   -0.8208    0.4264 H   0  0  0  0  0
    2.1126   -0.8570    1.0940 H   0  0  0  0  0
    1.8338   -1.0321   -0.6833 H   0  0  0  0  0
    4.1114    4.5526    0.6987 H   0  0  0  0  0
    6.1670    3.3680    0.1352 H   0  0  0  0  0
    3.9269   -0.2481   -0.5479 H   0  0  0  0  0
    7.2505    1.4472   -0.6114 H   0  0  0  0  0
    8.1875   -2.8790   -1.7204 H   0  0  0  0  0
   10.8055   -2.2610   -2.2348 H   0  0  0  0  0
   10.9493    0.4688   -1.8320 H   0  0  0  0  0
    0.8164    2.7647    0.6537 H   0  0  0  0  0
   -0.0088    6.8745    0.1777 H   0  0  0  0  0
   -2.4099    7.4278    0.4103 H   0  0  0  0  0
   -3.9327    5.8837    1.6200 H   0  0  0  0  0
   -3.0490    3.8066    2.6228 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  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 17  1  0  0  0
  5  6  2  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 14 15  2  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
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 22 23  2  0  0  0
 22 39  1  0  0  0
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 25 26  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1385271

>  <PubChem CID>
1092661

>  <Formula>
C19H15ClN2O4

>  <Molecular Weight>
370.789000

>  <IUPAC Name>
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]furan-2-carboxamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=C(C=CC(=C1)NC(=O)C2=CC=CO2)NC(=O)C3=CC=CC=C3Cl

>  <Isomeric SMILES>
COC1=C(C=CC(=C1)NC(=O)C2=CC=CO2)NC(=O)C3=CC=CC=C3Cl

>  <InChI Std. ID>
InChI=1S/C19H15ClN2O4/c1-25-17-11-12(21-19(24)16-7-4-10-26-16)8-9-15(17)22-18(23)13-5-2-3-6-14(13)20/h2-11H,1H3,(H,21,24)(H,22,23)

>  <InChI Key>
FXIXZADJVWSXHM-UHFFFAOYSA-N

