Chemical ID: 6323496

c1cc2c(cc1CNC(=O)c3ccc(c(c3)Cl)Cl)OCO2
Chemical ID:
6323496
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-3,4-dichloro-benzamide
SMILES [?]:
c1cc2c(cc1CNC(=O)c3ccc(c(c3)Cl)Cl)OCO2
InChi [?]:
InChI=1/C15H11Cl2NO3/c16-11-3-2-10(6-12(11)17)15(19)18-7-9-1-4-13-14(5-9)21-8-20-13/h1-6H,7-8H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,12,13,2,5,16,7,20,6,11,14,15,3,4,9,18,17,8,10,21,19/rA:21nCCCCCCCNCOCCCCCCClClOCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s14;s4;s19;s3s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11Cl2NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.37589
Area:513.52
Solvation:-3.46211
Coulombic:-39.7489
Bond Count [?]
All:23
Single:16
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:324.158
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.14
LogP (Chemaxon):3.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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