Chemical ID: 6462298

Cc1ccc(c(c1)OCC(=O)Nc2cc(ccc2Cl)Cl)C(C)C
Chemical ID:
6462298
Name [?]:
N-(2,5-dichlorophenyl)-2-(2-isopropyl-5-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)Nc2cc(ccc2Cl)Cl)C(C)C
InChi [?]:
InChI=1/C18H19Cl2NO2/c1-11(2)14-6-4-12(3)8-17(14)23-10-18(22)21-16-9-13(19)5-7-15(16)20/h4-9,11H,10H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:22,23,1,3,16,4,17,7,14,9,21,2,15,5,18,13,6,10,20,19,12,11,8/E:(1,2)/rA:23nCCCCCCCOCCONCCCCCCClClCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s15;s5;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19Cl2NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.7001
Area:571.111
Solvation:-3.57764
Coulombic:-30.5377
Bond Count [?]
All:24
Single:17
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:352.254
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.55
LogP (Chemaxon):4.92

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