Chemical ID: 7027485

c1cc(cc(c1)C(F)(F)F)c2ccc(o2)C(=O)Nc3cccc(c3)C(F)(F)F
Chemical ID:
7027485
Name [?]:
N,5-bis[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILES [?]:
c1cc(cc(c1)C(F)(F)F)c2ccc(o2)C(=O)Nc3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C19H11F6NO2/c20-18(21,22)12-4-1-3-11(9-12)15-7-8-16(28-15)17(27)26-14-6-2-5-13(10-14)19(23,24)25/h1-10H,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,21,2,6,22,20,12,13,4,24,3,5,23,19,11,14,16,7,25,8,9,10,26,27,28,18,17,15/E:(20,21,22)(23,24,25)/rA:28nCCCCCCCFFFCCCCOCONCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s3;d11;s12;d13;s11s14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H11F6NO2
All Atoms:39
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.3239
Area:556.71
Solvation:-3.5939
Coulombic:-69.4333
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:399.287
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.5
LogP (Chemaxon):5.27

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