Chemical ID: 6884300

COc1ccc(cc1Cl)NC(=O)c2ccc(cc2)OCC(=O)Nc3cccc(c3Cl)Cl
Chemical ID:
6884300
Name [?]:
N-(3-chloro-4-methoxy-phenyl)-4-[(2,3-dichlorophenyl)carbamoylmethoxy]benzamide
SMILES [?]:
COc1ccc(cc1Cl)NC(=O)c2ccc(cc2)OCC(=O)Nc3cccc(c3Cl)Cl
InChi [?]:
InChI=1/C22H17Cl3N2O4/c1-30-19-10-7-14(11-17(19)24)26-22(29)13-5-8-15(9-6-13)31-12-20(28)27-18-4-2-3-16(23)21(18)25/h2-11H,12H2,1H3,(H,26,29)(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,26,27,25,14,18,5,15,17,4,7,20,13,6,16,28,8,24,3,21,29,11,31,9,30,10,23,22,12,2,19/E:(5,6)(8,9)/rA:31nCOCCCCCCClNCOCCCCCCOCCONCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17Cl3N2O4
All Atoms:48
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.3853
Area:709.15
Solvation:-6.34342
Coulombic:-57.9881
Bond Count [?]
All:33
Single:22
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:479.74
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.43
LogP (Chemaxon):4.58

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