Chemical ID: 4488961

c1ccc(c(c1)C(F)(F)F)NC(=O)COc2ccc(cc2)C(=O)Nc3ccc(cc3)Cl
Chemical ID:
4488961
Name [?]:
N-(4-chlorophenyl)-4-[[2-(trifluoromethyl)phenyl]carbamoylmethoxy]benzamide
SMILES [?]:
c1ccc(c(c1)C(F)(F)F)NC(=O)COc2ccc(cc2)C(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C22H16ClF3N2O3/c23-15-7-9-16(10-8-15)27-21(30)14-5-11-17(12-6-14)31-13-20(29)28-19-4-2-1-3-18(19)22(24,25)26/h1-12H,13H2,(H,27,30)(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,18,20,27,29,26,30,17,21,14,19,28,25,16,5,4,12,22,7,31,8,9,10,24,11,13,23,15/E:(5,6)(7,8)(9,10)(11,12)(24,25,26)/rA:31nCCCCCCCFFFNCOCOCCCCCCCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s4;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;s24;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16ClF3N2O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.9712
Area:654.901
Solvation:-5.40131
Coulombic:-69.5179
Bond Count [?]
All:33
Single:22
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:448.822
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.19
LogP (Chemaxon):5.33

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