Chemical ID: 5399660

COc1cccc(c1)C(NC(=O)c2ccc(cc2)Cl)NC(=O)c3ccc(cc3)Cl
Chemical ID:
5399660
Name [?]:
4-chloro-N-[(4-chlorobenzoyl)amino-(3-methoxyphenyl)-methyl]-benzamide
SMILES [?]:
COc1cccc(c1)C(NC(=O)c2ccc(cc2)Cl)NC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C22H18Cl2N2O3/c1-29-19-4-2-3-16(13-19)20(25-21(27)14-5-9-17(23)10-6-14)26-22(28)15-7-11-18(24)12-8-15/h2-13,20H,1H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,14,18,24,28,15,17,25,27,8,13,23,7,16,26,3,9,11,21,19,29,10,20,12,22,2/E:(5,6,7,8)(9,10,11,12)(14,15)(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;s16;s9;s20;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18Cl2N2O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.0384
Area:667.336
Solvation:-4.64497
Coulombic:-53.6786
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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