Chemical ID: 6882862

COc1ccc(cc1)NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(c(c3)Cl)Cl
Chemical ID:
6882862
Name [?]:
4-[(3,4-dichlorophenyl)carbamoylmethoxy]-N-(4-methoxyphenyl)-benzamide
SMILES [?]:
COc1ccc(cc1)NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C22H18Cl2N2O4/c1-29-17-9-4-15(5-10-17)26-22(28)14-2-7-18(8-3-14)30-13-21(27)25-16-6-11-19(23)20(24)12-16/h2-12H,13H2,1H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,13,17,5,7,24,14,16,4,8,25,28,19,12,6,23,3,15,26,27,20,10,30,29,22,9,21,11,2,18/E:(2,3)(4,5)(7,8)(9,10)/rA:30nCOCCCCCCNCOCCCCCCOCCONCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18Cl2N2O4
All Atoms:48
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.4093
Area:681.495
Solvation:-6.62808
Coulombic:-56.8584
Bond Count [?]
All:32
Single:21
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:445.295
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.81
LogP (Chemaxon):4.71

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Descriptor Annotations

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