Chemical ID: 6462609

Cc1ccc(c(c1)C)NC(=O)COc2cc(c(cc2Cl)Cl)Cl
Chemical ID:
6462609
Name [?]:
N-(2,4-dimethylphenyl)-2-(2,4,5-trichlorophenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)COc2cc(c(cc2Cl)Cl)Cl
InChi [?]:
InChI=1/C16H14Cl3NO2/c1-9-3-4-14(10(2)5-9)20-16(21)8-22-15-7-12(18)11(17)6-13(15)19/h3-7H,8H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,8,3,4,7,18,15,12,2,6,17,16,19,5,14,10,21,22,20,9,11,13/rA:22nCCCCCCCCNCOCOCCCCCCClClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14Cl3NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.57489
Area:556.895
Solvation:-4.34748
Coulombic:-28.4255
Bond Count [?]
All:23
Single:16
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:358.646
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.2
LogP (Chemaxon):4.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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