Chemical ID: 4453412

COc1cc(cc(c1)OC)NC(=O)c2c(cccc2Cl)Cl
Chemical ID:
4453412
Name [?]:
2,6-dichloro-N-(3,5-dimethoxyphenyl)-benzamide
SMILES [?]:
COc1cc(cc(c1)OC)NC(=O)c2c(cccc2Cl)Cl
InChi [?]:
InChI=1/C15H13Cl2NO3/c1-20-10-6-9(7-11(8-10)21-2)18-15(19)14-12(16)4-3-5-13(14)17/h3-8H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,10,17,16,18,4,6,8,5,3,7,15,19,14,12,21,20,11,13,2,9/E:(1,2)(4,5)(6,7)(10,11)(12,13)(16,17)(20,21)/rA:21nCOCCCCCCOCNCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s15;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13Cl2NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.9196
Area:500.536
Solvation:-4.5938
Coulombic:-35.7337
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:326.174
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.07
LogP (Chemaxon):3.63

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