Chemical ID: 5777284

COc1ccc(cc1)C(CC(=O)NCc2ccco2)NC(=O)C(F)(F)F
Chemical ID:
5777284
Name [?]:
N-(2-furylmethyl)-3-(4-methoxyphenyl)-3-(2,2,2-trifluoroacetyl)amino-propanamide
SMILES [?]:
COc1ccc(cc1)C(CC(=O)NCc2ccco2)NC(=O)C(F)(F)F
InChi [?]:
InChI=1/C17H17F3N2O4/c1-25-12-6-4-11(5-7-12)14(22-16(24)17(18,19)20)9-15(23)21-10-13-3-2-8-26-13/h2-8,14H,9-10H2,1H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,17,16,5,7,4,8,18,10,14,6,3,15,9,11,21,23,24,25,26,13,20,12,22,2,19/E:(4,5)(6,7)(18,19,20)/rA:26cCOCCCCCCCCCONCCCCCONCOCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;s15s18;s9;s20;d21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17F3N2O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:8.20389
Area:568.12
Solvation:-5.99912
Coulombic:-76.8229
Bond Count [?]
All:27
Single:20
Double:7
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:370.323
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.87
LogP (Chemaxon):1.75

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