Chemical ID: 4506590

COc1ccc(cc1)C(=O)Nc2cccc(c2)C(=O)Nc3ccccc3Cl
Chemical ID:
4506590
Name [?]:
N-[3-[(2-chlorophenyl)carbamoyl]phenyl]-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2cccc(c2)C(=O)Nc3ccccc3Cl
InChi [?]:
InChI=1/C21H17ClN2O3/c1-27-17-11-9-14(10-12-17)20(25)23-16-6-4-5-15(13-16)21(26)24-19-8-3-2-7-18(19)22/h2-13H,1H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,24,23,14,15,13,25,22,5,7,4,8,17,6,16,12,3,26,21,9,18,27,11,20,10,19,2/E:(9,10)(11,12)/rA:27nCOCCCCCCCONCCCCCCCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17ClN2O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.8391
Area:598.668
Solvation:-4.12757
Coulombic:-52.1026
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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