Chemical ID: 4464044

Cc1ccc(cc1Cl)NC(=O)COc2c(cc(cc2Cl)C=O)Cl
Chemical ID:
4464044
Name [?]:
N-(3-chloro-4-methyl-phenyl)-2-(2,6-dichloro-4-formyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)COc2c(cc(cc2Cl)C=O)Cl
InChi [?]:
InChI=1/C16H12Cl3NO3/c1-9-2-3-11(6-12(9)17)20-15(22)8-23-16-13(18)4-10(7-21)5-14(16)19/h2-7H,8H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,4,16,18,6,21,12,2,17,5,7,15,19,10,14,8,23,20,9,22,11,13/E:(4,5)(13,14)(18,19)/rA:23nCCCCCCCClNCOCOCCCCCCClCOCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;d21;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12Cl3NO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.75359
Area:569.157
Solvation:-5.47533
Coulombic:-35.6123
Bond Count [?]
All:24
Single:16
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:372.63
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.46
LogP (Chemaxon):4.57

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