
 CHEMBL1209469

 31 32  0  0  0  0  0  0  0  0999 V2000
   -0.5488    0.8191    0.6705 C   0  0  0  0  0
    0.7599    0.7547    0.1087 O   0  0  0  0  0
    1.6775    1.5946    0.6992 C   0  0  0  0  0
    1.3564    2.8568    1.2099 C   0  0  0  0  0
    2.3480    3.6448    1.7962 C   0  0  0  0  0
    3.6602    3.1828    1.8582 C   0  0  0  0  0
    3.9891    1.9301    1.3350 C   0  0  0  0  0
    3.0051    1.1268    0.7538 C   0  0  0  0  0
    3.2700   -0.1485    0.2009 N   0  0  0  0  0
    4.4096   -0.9051    0.3823 C   0  0  0  0  0
    5.3396   -0.6511    1.1392 O   0  0  0  0  0
    4.4766   -2.1698   -0.3992 C   0  0  0  0  0
    5.1938   -3.2418    0.1447 C   0  0  0  0  0
    5.3322   -4.4165   -0.5826 C   0  0  0  0  0
    4.7757   -4.5480   -1.8487 C   0  0  0  0  0
    4.0645   -3.4799   -2.4012 C   0  0  0  0  0
    3.9126   -2.2877   -1.6778 C   0  0  0  0  0
    3.5029   -3.5999   -3.7160 C   0  0  0  0  0
    3.0445   -3.6940   -4.7747 N   0  0  0  0  0
    6.0218   -5.4381   -0.0599 F   0  0  0  0  0
   -1.0914   -0.0760    0.3521 H   0  0  0  0  0
   -1.0911    1.6913    0.2930 H   0  0  0  0  0
   -0.5199    0.8179    1.7660 H   0  0  0  0  0
    0.3477    3.2525    1.1545 H   0  0  0  0  0
    2.0996    4.6230    2.1998 H   0  0  0  0  0
    4.4361    3.7978    2.3078 H   0  0  0  0  0
    5.0266    1.6132    1.3806 H   0  0  0  0  0
    2.4650   -0.5605   -0.2597 H   0  0  0  0  0
    5.6551   -3.1644    1.1269 H   0  0  0  0  0
    4.9147   -5.4783   -2.3930 H   0  0  0  0  0
    3.3918   -1.4472   -2.1331 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  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 24  1  0  0  0
  5  6  2  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  7  8  2  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 14 15  2  0  0  0
 14 20  1  0  0  0
 15 16  1  0  0  0
 15 30  1  0  0  0
 16 17  2  0  0  0
 16 18  1  0  0  0
 17 31  1  0  0  0
 18 19  3  0  0  0
M  END

>  <Chemical Name>
CHEMBL1209469

>  <PubChem CID>
49862483

>  <Formula>
C15H11FN2O2

>  <Molecular Weight>
270.263000

>  <IUPAC Name>
3-cyano-5-fluoro-N-(2-methoxyphenyl)benzamide

>  <XlogP>
2.500

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=CC=C1NC(=O)C2=CC(=CC(=C2)C#N)F

>  <Isomeric SMILES>
COC1=CC=CC=C1NC(=O)C2=CC(=CC(=C2)C#N)F

>  <InChI Std. ID>
InChI=1S/C15H11FN2O2/c1-20-14-5-3-2-4-13(14)18-15(19)11-6-10(9-17)7-12(16)8-11/h2-8H,1H3,(H,18,19)

>  <InChI Key>
AWLPOHBSWXCQPN-UHFFFAOYSA-N

