Chemical ID: 6876081

CCOc1ccc(cc1)NC(=O)COc2ccc(cc2)C(=O)Nc3cccc(c3C)Cl
Chemical ID:
6876081
Name [?]:
N-(3-chloro-2-methyl-phenyl)-4-[(4-ethoxyphenyl)carbamoylmethoxy]benzamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)COc2ccc(cc2)C(=O)Nc3cccc(c3C)Cl
InChi [?]:
InChI=1/C24H23ClN2O4/c1-3-30-19-13-9-18(10-14-19)26-23(28)15-31-20-11-7-17(8-12-20)24(29)27-22-6-4-5-21(25)16(22)2/h4-14H,3,15H2,1-2H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,30,2,26,27,25,17,19,6,8,16,20,5,9,13,29,18,7,4,15,28,24,11,21,31,10,23,12,22,3,14/E:(7,8)(9,10)(11,12)(13,14)/rA:31nCCOCCCCCCNCOCOCCCCCCCONCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H23ClN2O4
All Atoms:54
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.1502
Area:694.235
Solvation:-6.20568
Coulombic:-57.4369
Bond Count [?]
All:33
Single:22
Double:11
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:438.903
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.83
LogP (Chemaxon):4.36

Name Annotations

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Descriptor Annotations

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