
 CHEMBL2315052

 54 56  0  0  0  0  0  0  0  0999 V2000
    3.9666   -1.9451    7.7546 C   0  0  0  0  0
    4.1004   -0.4687    7.4095 C   0  0  0  0  0
    4.6972   -0.2710    6.0892 N   0  0  0  0  0
    6.1589   -0.2149    6.0295 C   0  0  0  0  0
    6.6844    1.1955    6.2519 C   0  0  0  0  0
    3.8346   -0.2801    4.9810 C   0  0  0  0  0
    2.6218   -0.4723    5.1165 O   0  0  0  0  0
    4.3414   -0.0925    3.5765 C   0  0  0  0  0
    5.4726    0.6301    3.3689 N   0  0  0  0  0
    5.8878    0.8043    2.0888 C   0  0  0  0  0
    5.1884    0.2812    1.0018 C   0  0  0  0  0
    4.0283   -0.4483    1.2311 C   0  0  0  0  0
    3.5918   -0.6349    2.5361 C   0  0  0  0  0
    7.1443    1.6213    1.8784 C   0  0  0  0  0
    8.2820    0.8519    1.2355 C   0  0  0  0  0
    8.5483    0.9405   -0.1455 C   0  0  0  0  0
    9.5867    0.1871   -0.7027 C   0  0  0  0  0
   10.3688   -0.6429    0.1058 C   0  0  0  0  0
   10.1127   -0.7255    1.4714 C   0  0  0  0  0
    9.0755    0.0122    2.0374 C   0  0  0  0  0
   11.0741   -1.7509    2.4615 Cl  0  0  0  0  0
    7.7048    1.7401   -0.8692 O   0  0  0  0  0
    8.1908    2.2543   -2.1102 C   0  0  0  0  0
    7.1712    3.1758   -2.7408 C   0  0  0  0  0
    7.4852    3.7783   -3.9648 C   0  0  0  0  0
    6.5884    4.6132   -4.6236 C   0  0  0  0  0
    5.3456    4.8562   -4.0503 C   0  0  0  0  0
    5.0052    4.2758   -2.8288 C   0  0  0  0  0
    5.9151    3.4389   -2.1751 C   0  0  0  0  0
    4.2181    5.8761   -4.8545 Cl  0  0  0  0  0
    8.6787    3.5412   -4.5286 F   0  0  0  0  0
    3.5306   -2.0656    8.7514 H   0  0  0  0  0
    4.9404   -2.4440    7.7453 H   0  0  0  0  0
    3.3223   -2.4624    7.0356 H   0  0  0  0  0
    4.7137    0.0439    8.1593 H   0  0  0  0  0
    3.1085   -0.0022    7.4363 H   0  0  0  0  0
    6.5209   -0.6216    5.0823 H   0  0  0  0  0
    6.5602   -0.8775    6.8062 H   0  0  0  0  0
    6.2668    1.9040    5.5314 H   0  0  0  0  0
    7.7743    1.2127    6.1603 H   0  0  0  0  0
    6.4231    1.5568    7.2522 H   0  0  0  0  0
    5.5371    0.4347   -0.0149 H   0  0  0  0  0
    3.4659   -0.8652    0.4001 H   0  0  0  0  0
    2.6828   -1.1919    2.7399 H   0  0  0  0  0
    7.4927    2.0044    2.8474 H   0  0  0  0  0
    6.8930    2.5176    1.2992 H   0  0  0  0  0
    9.8014    0.2012   -1.7655 H   0  0  0  0  0
   11.1681   -1.2304   -0.3389 H   0  0  0  0  0
    8.8756   -0.0673    3.1033 H   0  0  0  0  0
    8.3653    1.4317   -2.8130 H   0  0  0  0  0
    9.1162    2.8161   -1.9344 H   0  0  0  0  0
    6.8670    5.0567   -5.5730 H   0  0  0  0  0
    4.0328    4.4669   -2.3809 H   0  0  0  0  0
    5.6273    2.9943   -1.2247 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  4 38  1  0  0  0
  5 39  1  0  0  0
  5 40  1  0  0  0
  5 41  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 42  1  0  0  0
 12 13  2  0  0  0
 12 43  1  0  0  0
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 14 15  1  0  0  0
 14 45  1  0  0  0
 14 46  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 22  1  0  0  0
 17 18  2  0  0  0
 17 47  1  0  0  0
 18 19  1  0  0  0
 18 48  1  0  0  0
 19 20  2  0  0  0
 19 21  1  0  0  0
 20 49  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 23 50  1  0  0  0
 23 51  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 31  1  0  0  0
 26 27  2  0  0  0
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 29 54  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2315052

>  <PubChem CID>
71519480

>  <Formula>
C24H23Cl2FN2O2

>  <Molecular Weight>
461.358000

>  <IUPAC Name>
6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N,N-diethylpyridine-2-carboxamide

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCN(CC)C(=O)C1=NC(=CC=C1)CC2=C(C=CC(=C2)Cl)OCC3=C(C=C(C=C3)Cl)F

>  <Isomeric SMILES>
CCN(CC)C(=O)C1=NC(=CC=C1)CC2=C(C=CC(=C2)Cl)OCC3=C(C=C(C=C3)Cl)F

>  <InChI Std. ID>
InChI=1S/C24H23Cl2FN2O2/c1-3-29(4-2)24(30)22-7-5-6-20(28-22)13-17-12-18(25)10-11-23(17)31-15-16-8-9-19(26)14-21(16)27/h5-12,14H,3-4,13,15H2,1-2H3

>  <InChI Key>
AWFBHJQNBWSWAR-UHFFFAOYSA-N

