Chemical ID: 4195601

COc1cc(cc(c1)OC)C(=O)Nc2cccc(c2)NC(=O)c3ccccc3Cl
Chemical ID:
4195601
Name [?]:
N-[3-(2-chlorobenzoyl)aminophenyl]-3,5-dimethoxy-benzamide
SMILES [?]:
COc1cc(cc(c1)OC)C(=O)Nc2cccc(c2)NC(=O)c3ccccc3Cl
InChi [?]:
InChI=1/C22H19ClN2O4/c1-28-17-10-14(11-18(13-17)29-2)21(26)24-15-6-5-7-16(12-15)25-22(27)19-8-3-4-9-20(19)23/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,10,25,26,16,15,17,24,27,4,6,19,8,5,14,18,3,7,23,28,11,21,29,13,20,12,22,2,9/E:(1,2)(10,11)(17,18)(28,29)/rA:29nCOCCCCCCOCCONCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;d21;s21;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H19ClN2O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.91866
Area:632.733
Solvation:-5.89967
Coulombic:-56.729
Bond Count [?]
All:31
Single:20
Double:11
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:410.85
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.42
LogP (Chemaxon):4.17

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