Chemical ID: 6378185

COC(=O)c1ccc(cc1)NC(=O)c2cc(ccc2Cl)Cl
Chemical ID:
6378185
Name [?]:
methyl 4-(2,5-dichlorobenzoyl)aminobenzoate
SMILES [?]:
COC(=O)c1ccc(cc1)NC(=O)c2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C15H11Cl2NO3/c1-21-15(20)9-2-5-11(6-3-9)18-14(19)12-8-10(16)4-7-13(12)17/h2-8H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,6,10,17,7,9,18,15,5,16,8,14,19,12,3,21,20,11,13,4,2/E:(2,3)(5,6)/rA:21nCOCOCCCCCCNCOCCCCCCClCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11Cl2NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.81421
Area:513.026
Solvation:-3.01145
Coulombic:-41.8819
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:4.17
LogP (Chemaxon):3.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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