
 CHEMBL2315051

 54 56  0  0  0  0  0  0  0  0999 V2000
    3.7701    5.1521    6.0482 C   0  0  0  0  0
    2.8374    4.5445    4.9856 C   0  0  0  0  0
    2.2859    3.2169    5.5320 C   0  0  0  0  0
    1.6828    5.5289    4.7369 C   0  0  0  0  0
    3.6091    4.3237    3.7564 N   0  0  0  0  0
    3.1069    3.7751    2.5933 C   0  0  0  0  0
    1.9470    3.4067    2.4428 O   0  0  0  0  0
    4.0971    3.6445    1.4743 C   0  0  0  0  0
    5.3649    4.0865    1.7163 N   0  0  0  0  0
    6.2585    3.9662    0.6978 C   0  0  0  0  0
    5.9213    3.4119   -0.5376 C   0  0  0  0  0
    4.6181    2.9734   -0.7542 C   0  0  0  0  0
    3.6859    3.0915    0.2686 C   0  0  0  0  0
    7.6663    4.4660    0.9407 C   0  0  0  0  0
    8.6286    3.4047    1.4368 C   0  0  0  0  0
    9.7133    2.9569    0.6596 C   0  0  0  0  0
   10.6292    2.0451    1.1971 C   0  0  0  0  0
   10.4425    1.5331    2.4836 C   0  0  0  0  0
    9.3444    1.9359    3.2364 C   0  0  0  0  0
    8.4461    2.8688    2.7248 C   0  0  0  0  0
    9.1051    1.2931    4.8134 Cl  0  0  0  0  0
    9.8197    3.4884   -0.5955 O   0  0  0  0  0
   10.5331    2.7228   -1.5671 C   0  0  0  0  0
   10.0506    3.1894   -2.9132 C   0  0  0  0  0
   10.7276    4.1996   -3.6012 C   0  0  0  0  0
   10.2525    4.6975   -4.8099 C   0  0  0  0  0
    9.0754    4.1802   -5.3409 C   0  0  0  0  0
    8.3817    3.1689   -4.6759 C   0  0  0  0  0
    8.8674    2.6744   -3.4635 C   0  0  0  0  0
    8.4631    4.7982   -6.8249 Cl  0  0  0  0  0
   11.8568    4.7120   -3.0923 F   0  0  0  0  0
    4.1901    6.1056    5.7079 H   0  0  0  0  0
    4.6111    4.4837    6.2654 H   0  0  0  0  0
    3.2367    5.3373    6.9880 H   0  0  0  0  0
    3.0929    2.4929    5.6928 H   0  0  0  0  0
    1.5673    2.7569    4.8463 H   0  0  0  0  0
    1.7713    3.3653    6.4882 H   0  0  0  0  0
    2.0572    6.4858    4.3554 H   0  0  0  0  0
    1.1275    5.7293    5.6604 H   0  0  0  0  0
    0.9657    5.1453    4.0041 H   0  0  0  0  0
    4.5903    4.5899    3.7191 H   0  0  0  0  0
    6.6620    3.3335   -1.3278 H   0  0  0  0  0
    4.3287    2.5476   -1.7105 H   0  0  0  0  0
    2.6612    2.7602    0.1303 H   0  0  0  0  0
    7.6332    5.2718    1.6858 H   0  0  0  0  0
    8.0329    4.9504    0.0272 H   0  0  0  0  0
   11.5091    1.7291    0.6446 H   0  0  0  0  0
   11.1589    0.8255    2.8926 H   0  0  0  0  0
    7.5989    3.1887    3.3287 H   0  0  0  0  0
   10.3277    1.6484   -1.4714 H   0  0  0  0  0
   11.6118    2.8857   -1.4591 H   0  0  0  0  0
   10.7993    5.4867   -5.3152 H   0  0  0  0  0
    7.4597    2.7696   -5.0913 H   0  0  0  0  0
    8.3125    1.8967   -2.9420 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  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  4 40  1  0  0  0
  5  6  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
 13 44  1  0  0  0
 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
 26 52  1  0  0  0
 27 28  1  0  0  0
 27 30  1  0  0  0
 28 29  2  0  0  0
 28 53  1  0  0  0
 29 54  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2315051

>  <PubChem CID>
71519479

>  <Formula>
C24H23Cl2FN2O2

>  <Molecular Weight>
461.358000

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

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

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

>  <Isomeric SMILES>
CC(C)(C)NC(=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/c1-24(2,3)29-23(30)21-6-4-5-19(28-21)12-16-11-17(25)9-10-22(16)31-14-15-7-8-18(26)13-20(15)27/h4-11,13H,12,14H2,1-3H3,(H,29,30)

>  <InChI Key>
SXONLDCVNFEQCH-UHFFFAOYSA-N

