Chemical ID: 5807265

c1cc(cnc1)CNCC(=O)Nc2ccc(cc2)OC(F)(F)F
Chemical ID:
5807265
Name [?]:
2-(3-pyridylmethylamino)-N-[4-(trifluoromethoxy)phenyl]-acetamide
SMILES [?]:
c1cc(cnc1)CNCC(=O)Nc2ccc(cc2)OC(F)(F)F
InChi [?]:
InChI=1/C15H14F3N3O2/c16-15(17,18)23-13-5-3-12(4-6-13)21-14(22)10-20-9-11-2-1-7-19-8-11/h1-8,20H,9-10H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,14,18,15,17,6,4,7,9,3,13,16,10,20,21,22,23,5,8,12,11,19/E:(3,4)(5,6)(16,17,18)/rA:23nCCCCNCCNCCONCCCCCCOCFFF/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14F3N3O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.59359
Area:508.857
Solvation:-4.12783
Coulombic:-64.9044
Bond Count [?]
All:24
Single:17
Double:7
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:325.286
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.19
LogP (Chemaxon):2.0

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