Chemical ID: 6990116

Cc1cc(cc(c1)OCC(=O)Nc2cc(c(cc2Cl)Cl)Cl)C
Chemical ID:
6990116
Name [?]:
2-(3,5-dimethylphenoxy)-N-(2,4,5-trichlorophenyl)-acetamide
SMILES [?]:
Cc1cc(cc(c1)OCC(=O)Nc2cc(c(cc2Cl)Cl)Cl)C
InChi [?]:
InChI=1/C16H14Cl3NO2/c1-9-3-10(2)5-11(4-9)22-8-16(21)20-15-7-13(18)12(17)6-14(15)19/h3-7H,8H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,3,7,5,17,14,9,2,4,6,16,15,18,13,10,20,21,19,12,11,8/E:(1,2)(4,5)(9,10)/rA:22nCCCCCCCOCCONCCCCCCClClClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s16;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14Cl3NO2
All Atoms:36
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.2811
Area:558.581
Solvation:-3.68346
Coulombic:-29.4279
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:5.42
LogP (Chemaxon):4.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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