Chemical ID: 5460663

Cc1ccc(c(c1)NC(=O)c2ccc(o2)c3ccc(c(c3)C(F)(F)F)Cl)C
Chemical ID:
5460663
Name [?]:
5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,5-dimethylphenyl)-furan-2-carboxamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)c2ccc(o2)c3ccc(c(c3)C(F)(F)F)Cl)C
InChi [?]:
InChI=1/C20H15ClF3NO2/c1-11-3-4-12(2)16(9-11)25-19(26)18-8-7-17(27-18)13-5-6-15(21)14(10-13)20(22,23)24/h3-10H,1-2H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,27,3,4,17,18,13,12,7,21,2,5,16,20,19,6,14,11,9,22,26,23,24,25,8,10,15/E:(22,23,24)/rA:27nCCCCCCCNCOCCCCOCCCCCCCFFFClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;d11;s12;d13;s11s14;s14;s16;d17;s18;d19;d16s20;s20;s22;s22;s22;s19;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15ClF3NO2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.3592
Area:574.825
Solvation:-3.01147
Coulombic:-50.421
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:393.787
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.86
LogP (Chemaxon):5.18

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue