Chemical ID: 4533753

COc1c(cc(cc1Cl)C(=O)Nc2ccc(cc2)Cl)Cl
Chemical ID:
4533753
Name [?]:
3,5-dichloro-N-(4-chlorophenyl)-4-methoxy-benzamide
SMILES [?]:
COc1c(cc(cc1Cl)C(=O)Nc2ccc(cc2)Cl)Cl
InChi [?]:
InChI=1/C14H10Cl3NO2/c1-20-13-11(16)6-8(7-12(13)17)14(19)18-10-4-2-9(15)3-5-10/h2-7H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,15,17,14,18,5,7,6,16,13,4,8,3,10,19,20,9,12,11,2/E:(2,3)(4,5)(6,7)(11,12)(16,17)/rA:20nCOCCCCCCClCONCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10Cl3NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.60008
Area:508.488
Solvation:-3.11212
Coulombic:-30.2558
Bond Count [?]
All:21
Single:14
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:330.593
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.77
LogP (Chemaxon):4.4

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