
 CHEMBL2315054

 42 44  0  0  0  0  0  0  0  0999 V2000
   -1.7535    4.3120   -3.5797 C   0  0  0  0  0
   -1.9218    3.1143   -4.2654 C   0  0  0  0  0
   -1.4333    1.9536   -3.6846 C   0  0  0  0  0
   -0.7991    1.9156   -2.4766 N   0  0  0  0  0
   -0.6445    3.0963   -1.8260 C   0  0  0  0  0
   -1.1045    4.3054   -2.3475 C   0  0  0  0  0
    0.0701    3.0615   -0.4953 C   0  0  0  0  0
    1.5687    3.2512   -0.6056 C   0  0  0  0  0
    2.1763    4.5069   -0.4163 C   0  0  0  0  0
    3.5707    4.6144   -0.4776 C   0  0  0  0  0
    4.3558    3.5011   -0.7917 C   0  0  0  0  0
    3.7518    2.2718   -1.0297 C   0  0  0  0  0
    2.3698    2.1405   -0.9313 C   0  0  0  0  0
    4.7170    0.9078   -1.4361 Cl  0  0  0  0  0
    1.3286    5.5537   -0.1689 O   0  0  0  0  0
    1.8451    6.8775   -0.3224 C   0  0  0  0  0
    0.7114    7.7850   -0.7253 C   0  0  0  0  0
    0.7781    8.5010   -1.9257 C   0  0  0  0  0
   -0.2523    9.3404   -2.3331 C   0  0  0  0  0
   -1.3758    9.4728   -1.5254 C   0  0  0  0  0
   -1.4683    8.7746   -0.3208 C   0  0  0  0  0
   -0.4262    7.9328    0.0806 C   0  0  0  0  0
   -2.6609   10.5050   -2.0164 Cl  0  0  0  0  0
    1.8562    8.3848   -2.7140 F   0  0  0  0  0
   -1.5921    0.6450   -4.3933 C   0  0  0  0  0
   -2.1434    0.5408   -5.4820 O   0  0  0  0  0
   -1.0753   -0.4400   -3.7373 N   0  0  0  0  0
   -2.1210    5.2436   -4.0014 H   0  0  0  0  0
   -2.4210    3.0878   -5.2301 H   0  0  0  0  0
   -0.9617    5.2342   -1.8033 H   0  0  0  0  0
   -0.1272    2.0930   -0.0152 H   0  0  0  0  0
   -0.3722    3.7974    0.1878 H   0  0  0  0  0
    4.0840    5.5512   -0.2850 H   0  0  0  0  0
    5.4361    3.6038   -0.8536 H   0  0  0  0  0
    1.9056    1.1736   -1.1152 H   0  0  0  0  0
    2.6278    6.9268   -1.0866 H   0  0  0  0  0
    2.2624    7.2145    0.6338 H   0  0  0  0  0
   -0.1645    9.8776   -3.2717 H   0  0  0  0  0
   -2.3489    8.8809    0.3083 H   0  0  0  0  0
   -0.5087    7.3878    1.0194 H   0  0  0  0  0
   -0.6219   -0.3075   -2.8406 H   0  0  0  0  0
   -1.1376   -1.3550   -4.1571 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  2  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 15  1  0  0  0
 10 11  2  0  0  0
 10 33  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 12 13  2  0  0  0
 12 14  1  0  0  0
 13 35  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 16 37  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 24  1  0  0  0
 19 20  2  0  0  0
 19 38  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 39  1  0  0  0
 22 40  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 41  1  0  0  0
 27 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2315054

>  <PubChem CID>
24753314

>  <Formula>
C20H15Cl2FN2O2

>  <Molecular Weight>
405.250000

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

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C20H15Cl2FN2O2/c21-14-6-7-19(27-11-12-4-5-15(22)10-17(12)23)13(8-14)9-16-2-1-3-18(25-16)20(24)26/h1-8,10H,9,11H2,(H2,24,26)

>  <InChI Key>
WCTJTYALDQBUBV-UHFFFAOYSA-N

