
 CHEMBL1650353

 46 48  0  0  0  0  0  0  0  0999 V2000
    0.6103    1.9898   -1.1653 C   0  0  0  0  0
    1.9378    2.5861   -0.7251 C   0  0  0  0  0
    2.9884    1.5265   -0.4480 C   0  0  0  0  0
    2.7238    0.3212   -0.4676 O   0  0  0  0  0
    4.2824    1.8823   -0.1955 N   0  0  0  0  0
    4.8502    3.1549   -0.0861 C   0  0  0  0  0
    4.0705    4.2334   -0.0347 N   0  0  0  0  0
    4.6743    5.4285    0.0207 C   0  0  0  0  0
    6.0052    5.6063    0.0128 N   0  0  0  0  0
    6.7893    4.5049   -0.0192 C   0  0  0  0  0
    6.2269    3.2396   -0.0475 C   0  0  0  0  0
    8.2564    4.7605   -0.0649 C   0  0  0  0  0
    9.2123    3.7330   -0.1830 C   0  0  0  0  0
   10.5865    4.0041   -0.2653 C   0  0  0  0  0
   11.0597    5.3195   -0.2313 C   0  0  0  0  0
   10.1299    6.3553   -0.0997 C   0  0  0  0  0
    8.7591    6.0770   -0.0173 C   0  0  0  0  0
   12.5323    5.6286   -0.3425 C   0  0  0  0  0
   12.8206    6.4043   -1.4241 F   0  0  0  0  0
   13.0079    6.3032    0.7402 F   0  0  0  0  0
   13.3135    4.5184   -0.4627 F   0  0  0  0  0
    3.8017    6.6139    0.0542 C   0  0  0  0  0
    2.4975    6.5378    0.5802 C   0  0  0  0  0
    1.6395    7.6423    0.5770 C   0  0  0  0  0
    2.0602    8.8642    0.0404 C   0  0  0  0  0
    3.3612    8.9600   -0.4742 C   0  0  0  0  0
    4.2188    7.8528   -0.4606 C   0  0  0  0  0
    1.1366   10.0569   -0.0034 C   0  0  0  0  0
    1.6530   11.1415    0.6379 F   0  0  0  0  0
    0.8756   10.4644   -1.2766 F   0  0  0  0  0
   -0.0780    9.8282    0.5701 F   0  0  0  0  0
   -0.1117    2.7857   -1.3734 H   0  0  0  0  0
    0.1916    1.3417   -0.3889 H   0  0  0  0  0
    0.7312    1.3925   -2.0751 H   0  0  0  0  0
    1.7737    3.1670    0.1876 H   0  0  0  0  0
    2.2956    3.2434   -1.5246 H   0  0  0  0  0
    4.8896    1.0783   -0.1151 H   0  0  0  0  0
    6.8272    2.3425   -0.0806 H   0  0  0  0  0
    8.9201    2.6877   -0.2264 H   0  0  0  0  0
   11.2845    3.1729   -0.3644 H   0  0  0  0  0
   10.4646    7.3914   -0.0683 H   0  0  0  0  0
    8.0733    6.9190    0.0778 H   0  0  0  0  0
    2.1365    5.5995    1.0004 H   0  0  0  0  0
    0.6371    7.5352    0.9900 H   0  0  0  0  0
    3.7121    9.8995   -0.8996 H   0  0  0  0  0
    5.2188    7.9565   -0.8800 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  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 22  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 12  1  0  0  0
 11 38  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 14 15  2  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 41  1  0  0  0
 17 42  1  0  0  0
 18 21  1  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 43  1  0  0  0
 24 25  2  0  0  0
 24 44  1  0  0  0
 25 26  1  0  0  0
 25 28  1  0  0  0
 26 27  2  0  0  0
 26 45  1  0  0  0
 27 46  1  0  0  0
 28 31  1  0  0  0
 28 30  1  0  0  0
 28 29  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1650353

>  <PubChem CID>
50940968

>  <Formula>
C21H15F6N3O

>  <Molecular Weight>
439.361000

>  <IUPAC Name>
N-[2,6-bis[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propanamide

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCC(=O)NC1=NC(=NC(=C1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F

>  <Isomeric SMILES>
CCC(=O)NC1=NC(=NC(=C1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C21H15F6N3O/c1-2-18(31)29-17-11-16(12-3-7-14(8-4-12)20(22,23)24)28-19(30-17)13-5-9-15(10-6-13)21(25,26)27/h3-11H,2H2,1H3,(H,28,29,30,31)

>  <InChI Key>
AKBISJVDIOWOKZ-UHFFFAOYSA-N

