Chemical ID: 4195670

COc1c(cc(cc1Cl)C(=O)Nc2ccc(cc2)NC(=O)c3ccccc3)Cl
Chemical ID:
4195670
Name [?]:
N-(4-benzamidophenyl)-3,5-dichloro-4-methoxy-benzamide
SMILES [?]:
COc1c(cc(cc1Cl)C(=O)Nc2ccc(cc2)NC(=O)c3ccccc3)Cl
InChi [?]:
InChI=1/C21H16Cl2N2O3/c1-28-19-17(22)11-14(12-18(19)23)21(27)25-16-9-7-15(8-10-16)24-20(26)13-5-3-2-4-6-13/h2-12H,1H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,25,24,26,23,27,15,17,14,18,5,7,22,6,16,13,4,8,3,20,10,28,9,19,12,21,11,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)(17,18)(22,23)/rA:28nCOCCCCCCClCONCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;s22;d23;s24;d25;d22s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16Cl2N2O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.4431
Area:631.8
Solvation:-4.35185
Coulombic:-51.7033
Bond Count [?]
All:30
Single:19
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:415.269
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.7
LogP (Chemaxon):4.94

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