Chemical ID: 7038150

COc1cccc(c1)C(NC(=O)c2cccc(c2)Cl)NC(=O)c3cccc(c3)Cl
Chemical ID:
7038150
Name [?]:
3-chloro-N-[(3-chlorobenzoyl)amino-(3-methoxyphenyl)-methyl]-benzamide
SMILES [?]:
COc1cccc(c1)C(NC(=O)c2cccc(c2)Cl)NC(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C22H18Cl2N2O3/c1-29-19-10-4-5-14(13-19)20(25-21(27)15-6-2-8-17(23)11-15)26-22(28)16-7-3-9-18(24)12-16/h2-13,20H,1H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,15,25,5,6,14,24,16,26,4,18,28,8,7,13,23,17,27,3,9,11,21,19,29,10,20,12,22,2/E:(2,3)(6,7)(8,9)(11,12)(15,16)(17,18)(21,22)(23,24)(25,26)(27,28)/gE:(1,2)/rA:29nCOCCCCCCCNCOCCCCCCClNCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;s9;s20;d21;s21;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18Cl2N2O3
All Atoms:47
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.983
Area:666.817
Solvation:-4.68744
Coulombic:-53.5418
Bond Count [?]
All:31
Single:20
Double:11
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:429.295
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.75
LogP (Chemaxon):4.61

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