Chemical ID: 6839686

COc1ccccc1NC(=O)c2ccc(cc2)OCC(=O)Nc3cc(ccc3Cl)C(F)(F)F
Chemical ID:
6839686
Name [?]:
4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylmethoxy]-N-(2-methoxyphenyl)-benzamide
SMILES [?]:
COc1ccccc1NC(=O)c2ccc(cc2)OCC(=O)Nc3cc(ccc3Cl)C(F)(F)F
InChi [?]:
InChI=1/C23H18ClF3N2O4/c1-32-20-5-3-2-4-18(20)29-22(31)14-6-9-16(10-7-14)33-13-21(30)28-19-12-15(23(25,26)27)8-11-17(19)24/h2-12H,13H2,1H3,(H,28,30)(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,13,17,26,14,16,27,24,19,12,25,15,28,8,23,3,20,10,30,29,31,32,33,22,9,21,11,2,18/E:(6,7)(9,10)(25,26,27)/rA:33nCOCCCCCCNCOCCCCCCOCCONCCCCCCClCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s25;s30;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18ClF3N2O4
All Atoms:51
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:10.563
Area:689.778
Solvation:-6.68148
Coulombic:-76.5801
Bond Count [?]
All:35
Single:24
Double:11
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:478.848
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.11
LogP (Chemaxon):4.43

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