
 SCHEMBL6918118

 37 39  0  0  0  0  0  0  0  0999 V2000
   -3.5979    3.4994    0.5109 C   0  0  0  0  0
   -3.7852    4.8256    0.1400 C   0  0  0  0  0
   -2.7380    5.4960   -0.4807 C   0  0  0  0  0
   -1.5353    4.9092   -0.7092 N   0  0  0  0  0
   -1.3526    3.6361   -0.3136 C   0  0  0  0  0
   -2.3675    2.8928    0.2747 C   0  0  0  0  0
   -0.1180    3.0103   -0.4968 N   0  0  0  0  0
    1.0756    3.5343   -0.9272 C   0  0  0  0  0
    1.9673    2.7725   -1.3012 O   0  0  0  0  0
    1.3739    4.9861   -0.8844 C   0  0  0  0  0
    1.0601    5.7651    0.2396 C   0  0  0  0  0
    1.4160    7.1154    0.2762 C   0  0  0  0  0
    2.0972    7.6785   -0.8060 C   0  0  0  0  0
    2.4352    6.8923   -1.9066 C   0  0  0  0  0
    2.0866    5.5460   -1.9496 C   0  0  0  0  0
    3.2916    7.5955   -3.2228 Cl  0  0  0  0  0
    1.0983    7.9975    1.2857 O   0  0  0  0  0
    0.7248    7.5183    2.5042 C   0  0  0  0  0
    1.4925    6.6853    3.2902 C   0  0  0  0  0
    1.1214    6.2659    4.5194 N   0  0  0  0  0
   -0.0528    6.7436    4.9658 C   0  0  0  0  0
   -0.8687    7.5821    4.3060 N   0  0  0  0  0
   -0.4489    7.9570    3.0776 C   0  0  0  0  0
   -2.8935    6.9387   -0.8841 C   0  0  0  0  0
   -2.8010    7.7965    0.1725 F   0  0  0  0  0
   -4.3987    2.9464    0.9941 H   0  0  0  0  0
   -4.7302    5.3233    0.3351 H   0  0  0  0  0
   -2.2092    1.8636    0.5801 H   0  0  0  0  0
   -0.0912    2.0042   -0.4052 H   0  0  0  0  0
    0.5161    5.3070    1.0599 H   0  0  0  0  0
    2.3639    8.7325   -0.7859 H   0  0  0  0  0
    2.3640    4.9308   -2.8022 H   0  0  0  0  0
    2.4556    6.3176    2.9517 H   0  0  0  0  0
   -0.3697    6.4261    5.9535 H   0  0  0  0  0
   -1.1065    8.6443    2.5515 H   0  0  0  0  0
   -3.8665    7.0967   -1.3600 H   0  0  0  0  0
   -2.1206    7.2169   -1.6074 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  3  4  2  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
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 12 17  1  0  0  0
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 24 37  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL6918118

>  <PubChem CID>
69936691

>  <Formula>
C17H12ClFN4O2

>  <Molecular Weight>
358.757000

>  <IUPAC Name>
3-chloro-N-[6-(fluoromethyl)pyridin-2-yl]-5-pyrimidin-5-yloxybenzamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC(=NC(=C1)NC(=O)C2=CC(=CC(=C2)Cl)OC3=CN=CN=C3)CF

>  <Isomeric SMILES>
C1=CC(=NC(=C1)NC(=O)C2=CC(=CC(=C2)Cl)OC3=CN=CN=C3)CF

>  <InChI Std. ID>
InChI=1S/C17H12ClFN4O2/c18-12-4-11(5-14(6-12)25-15-8-20-10-21-9-15)17(24)23-16-3-1-2-13(7-19)22-16/h1-6,8-10H,7H2,(H,22,23,24)

>  <InChI Key>
AJEKYVPZXSBGDG-UHFFFAOYSA-N

