Chemical ID: 6882806

CCc1ccccc1NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(c(c3)Cl)C
Chemical ID:
6882806
Name [?]:
4-[(3-chloro-4-methyl-phenyl)carbamoylmethoxy]-N-(2-ethylphenyl)-benzamide
SMILES [?]:
CCc1ccccc1NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(c(c3)Cl)C
InChi [?]:
InChI=1/C24H23ClN2O3/c1-3-17-6-4-5-7-22(17)27-24(29)18-9-12-20(13-10-18)30-15-23(28)26-19-11-8-16(2)21(25)14-19/h4-14H,3,15H2,1-2H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,30,2,5,6,4,7,25,13,17,24,14,16,28,19,26,3,12,23,15,27,8,20,10,29,22,9,21,11,18/E:(9,10)(12,13)/rA:30nCCCCCCCCNCOCCCCCCOCCONCCCCCCClC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;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:C24H23ClN2O3
All Atoms:53
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.6192
Area:668.851
Solvation:-5.10204
Coulombic:-51.0381
Bond Count [?]
All:32
Single:21
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:422.904
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.18
LogP (Chemaxon):5.13

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Descriptor Annotations

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