Chemical ID: 4787108

c1cc(ccc1C(=N)NC(=O)c2ccc(nc2)OCC(F)(F)F)Cl
Chemical ID:
4787108
Name [?]:
N-(4-chlorophenyl)carbonimidoyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILES [?]:
c1cc(ccc1C(=N)NC(=O)c2ccc(nc2)OCC(F)(F)F)Cl
InChi [?]:
InChI=1/C15H11ClF3N3O2/c16-11-4-1-9(2-5-11)13(20)22-14(23)10-3-6-12(21-7-10)24-8-15(17,18)19/h1-7H,8H2,(H2,20,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,13,2,4,14,17,19,6,12,3,15,7,10,20,24,21,22,23,8,16,9,11,18/E:(1,2)(4,5)(17,18,19)/rA:24nCCCCCCCNNCOCCCCNCOCCFFFCl/rB:s1;d2;s3;d4;d1s5;s6;w7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;s20;s20;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11ClF3N3O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.13936
Area:538.4
Solvation:-4.32064
Coulombic:-65.241
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:357.715
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.86
LogP (Chemaxon):3.23

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