
 CHEMBL2333361

 41 43  0  0  0  0  0  0  0  0999 V2000
   -3.5071    2.6147   -2.4052 C   0  0  0  0  0
   -4.7678    2.9947   -1.9433 C   0  0  0  0  0
   -5.6046    2.0609   -1.3145 C   0  0  0  0  0
   -5.1493    0.7428   -1.1510 C   0  0  0  0  0
   -3.9060    0.3474   -1.6559 C   0  0  0  0  0
   -3.0787    1.2949   -2.2623 C   0  0  0  0  0
   -3.3866   -0.9223   -1.5428 O   0  0  0  0  0
   -4.2761   -1.9923   -1.4827 C   0  0  0  0  0
   -3.9762   -3.0125   -0.5712 C   0  0  0  0  0
   -4.8817   -4.0664   -0.4777 C   0  0  0  0  0
   -6.0264   -4.0628   -1.2753 C   0  0  0  0  0
   -6.2203   -3.0126   -2.1582 C   0  0  0  0  0
   -5.3631   -1.9802   -2.2923 N   0  0  0  0  0
   -2.7895   -2.9271    0.1928 N   0  0  0  0  0
   -2.5664   -3.5282    1.4179 C   0  0  0  0  0
   -3.3927   -4.1826    2.0385 O   0  0  0  0  0
   -1.2842   -3.2412    1.8567 N   0  0  0  0  0
   -0.7885   -3.3532    3.1693 C   0  0  0  0  0
   -1.5999   -3.5755    4.2853 C   0  0  0  0  0
   -1.0494   -3.5952    5.5728 C   0  0  0  0  0
    0.3233   -3.3936    5.7512 C   0  0  0  0  0
    1.1384   -3.1782    4.6378 C   0  0  0  0  0
    0.5838   -3.1548    3.3549 C   0  0  0  0  0
    1.0689   -3.3817    7.3081 Cl  0  0  0  0  0
   -2.1217   -3.8534    6.9046 Cl  0  0  0  0  0
   -6.9795    2.4397   -0.8240 C   0  0  0  0  0
   -7.9591    1.6526   -1.3489 F   0  0  0  0  0
   -7.0971    2.3305    0.5282 F   0  0  0  0  0
   -7.3318    3.7207   -1.1256 F   0  0  0  0  0
   -2.8628    3.3461   -2.8887 H   0  0  0  0  0
   -5.0970    4.0242   -2.0781 H   0  0  0  0  0
   -5.7932    0.0261   -0.6440 H   0  0  0  0  0
   -2.0991    1.0034   -2.6358 H   0  0  0  0  0
   -4.7170   -4.8992    0.1992 H   0  0  0  0  0
   -6.7506   -4.8679   -1.2082 H   0  0  0  0  0
   -7.0996   -2.9708   -2.7954 H   0  0  0  0  0
   -2.2152   -2.1182   -0.0076 H   0  0  0  0  0
   -0.6127   -3.0472    1.1270 H   0  0  0  0  0
   -2.6730   -3.7137    4.1795 H   0  0  0  0  0
    2.2066   -3.0169    4.7636 H   0  0  0  0  0
    1.2432   -2.9772    2.5082 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3  4  2  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 14  1  0  0  0
 10 11  2  0  0  0
 10 34  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 12 13  2  0  0  0
 12 36  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 40  1  0  0  0
 23 41  1  0  0  0
 26 29  1  0  0  0
 26 28  1  0  0  0
 26 27  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2333361

>  <PubChem CID>
68531201

>  <Formula>
C19H12Cl2F3N3O2

>  <Molecular Weight>
442.219000

>  <IUPAC Name>
1-(3,4-dichlorophenyl)-3-[2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]urea

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC(=CC(=C1)OC2=C(C=CC=N2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)C(F)(F)F

>  <Isomeric SMILES>
C1=CC(=CC(=C1)OC2=C(C=CC=N2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C19H12Cl2F3N3O2/c20-14-7-6-12(10-15(14)21)26-18(28)27-16-5-2-8-25-17(16)29-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H2,26,27,28)

>  <InChI Key>
BZJGTIZMKOQWMK-UHFFFAOYSA-N

