Chemical ID: 5629803

COc1ccc(cc1)C(=O)Nc2ccc(c(c2)NC(=O)c3ccccc3)Cl
Chemical ID:
5629803
Name [?]:
N-(3-benzamido-4-chloro-phenyl)-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2ccc(c(c2)NC(=O)c3ccccc3)Cl
InChi [?]:
InChI=1/C21H17ClN2O3/c1-27-17-10-7-15(8-11-17)20(25)23-16-9-12-18(22)19(13-16)24-21(26)14-5-3-2-4-6-14/h2-13H,1H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,22,26,5,7,13,4,8,14,17,21,6,12,3,15,16,9,19,27,11,18,10,20,2/E:(3,4)(5,6)(7,8)(10,11)/rA:27nCOCCCCCCCONCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;s21;d22;s23;d24;d21s25;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17ClN2O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.2693
Area:600.701
Solvation:-3.74828
Coulombic:-52.486
Bond Count [?]
All:29
Single:18
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:380.824
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.5
LogP (Chemaxon):3.77

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