Chemical ID: 6882773

CCc1ccccc1NC(=O)c2ccc(cc2)OCC(=O)Nc3cccc(c3)Cl
Chemical ID:
6882773
Name [?]:
4-[(3-chlorophenyl)carbamoylmethoxy]-N-(2-ethylphenyl)-benzamide
SMILES [?]:
CCc1ccccc1NC(=O)c2ccc(cc2)OCC(=O)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C23H21ClN2O3/c1-2-16-6-3-4-9-21(16)26-23(28)17-10-12-20(13-11-17)29-15-22(27)25-19-8-5-7-18(24)14-19/h3-14H,2,15H2,1H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,25,4,26,24,7,13,17,14,16,28,19,3,12,27,23,15,8,20,10,29,22,9,21,11,18/E:(10,11)(12,13)/rA:29nCCCCCCCCNCOCCCCCCOCCONCCCCCCCl/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H21ClN2O3
All Atoms:50
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.1671
Area:651.638
Solvation:-5.12384
Coulombic:-51.1275
Bond Count [?]
All:31
Single:20
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:408.877
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.96
LogP (Chemaxon):4.66

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Descriptor Annotations

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