Chemical ID: 4465726

Cc1ccc(c(c1)NC(=O)c2ccc(cc2)OCC(=O)Nc3cc(ccc3Cl)Cl)OC
Chemical ID:
4465726
Name [?]:
4-[(2,5-dichlorophenyl)carbamoylmethoxy]-N-(2-methoxy-5-methyl-phenyl)-benzamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)c2ccc(cc2)OCC(=O)Nc3cc(ccc3Cl)Cl)OC
InChi [?]:
InChI=1/C23H20Cl2N2O4/c1-14-3-10-21(30-2)20(11-14)27-23(29)15-4-7-17(8-5-15)31-13-22(28)26-19-12-16(24)6-9-18(19)25/h3-12H,13H2,1-2H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,31,3,12,16,25,13,15,26,4,7,23,18,2,11,24,14,27,22,6,5,19,9,29,28,21,8,20,10,30,17/E:(4,5)(7,8)/rA:31nCCCCCCCNCOCCCCCCOCCONCCCCCCClClOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s24;s5;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H20Cl2N2O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.6579
Area:699.023
Solvation:-5.81771
Coulombic:-58.6072
Bond Count [?]
All:33
Single:22
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:459.321
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.24
LogP (Chemaxon):4.53

Name Annotations

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Descriptor Annotations

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