Chemical ID: 6418918

c1ccc(c(c1)C(=O)Nc2cccc(c2)C(F)(F)F)N
Chemical ID:
6418918
Name [?]:
2-amino-N-[3-(trifluoromethyl)phenyl]-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2cccc(c2)C(F)(F)F)N
InChi [?]:
InChI=1/C14H11F3N2O/c15-14(16,17)9-4-3-5-10(8-9)19-13(20)11-6-1-2-7-12(11)18/h1-8H,18H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,12,13,11,6,3,15,14,10,5,4,7,16,17,18,19,20,9,8/E:(15,16,17)/rA:20nCCCCCCCONCCCCCCCFFFN/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s16;s16;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11F3N2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.20468
Area:431.744
Solvation:-2.58893
Coulombic:-57.8296
Bond Count [?]
All:21
Single:14
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:280.245
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:3.53
LogP (Chemaxon):3.85

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