Chemical ID: 4156227

Cc1cc(c(c(c1)Cl)NC(=O)COc2ccc(cc2C)Cl)C
Chemical ID:
4156227
Name [?]:
N-(2-chloro-4,6-dimethyl-phenyl)-2-(4-chloro-2-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1cc(c(c(c1)Cl)NC(=O)COc2ccc(cc2C)Cl)C
InChi [?]:
InChI=1/C17H17Cl2NO2/c1-10-6-12(3)17(14(19)7-10)20-16(21)9-22-15-5-4-13(18)8-11(15)2/h4-8H,9H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,22,16,15,3,7,18,12,2,19,4,17,6,14,10,5,21,8,9,11,13/rA:22nCCCCCCCClNCOCOCCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17Cl2NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.63139
Area:546.155
Solvation:-4.02248
Coulombic:-29.2311
Bond Count [?]
All:23
Single:16
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:338.228
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.81
LogP (Chemaxon):4.01

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