Chemical ID: 6521430

COC(=O)c1ccc(cc1NC(=O)c2cccc(c2)Cl)Cl
Chemical ID:
6521430
Name [?]:
methyl 4-chloro-2-(3-chlorobenzoyl)amino-benzoate
SMILES [?]:
COC(=O)c1ccc(cc1NC(=O)c2cccc(c2)Cl)Cl
InChi [?]:
InChI=1/C15H11Cl2NO3/c1-21-15(20)12-6-5-11(17)8-13(12)18-14(19)9-3-2-4-10(16)7-9/h2-8H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,7,6,19,9,14,18,8,5,10,12,3,20,21,11,13,4,2/rA:21nCOCOCCCCCCNCOCCCCCCClCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s8;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11Cl2NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.5545
Area:512.351
Solvation:-2.25426
Coulombic:-43.2099
Bond Count [?]
All:22
Single:14
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:324.158
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.6
LogP (Chemaxon):4.34

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Descriptor Annotations

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