ChemDB: Chemical Search
Download
Chemical ID: 5183983
Chemical ID:
5183983
Name [?]:
2-(2,4-dimethylphenoxy)-N-(2,4,6-trichlorophenyl)-acetamide
SMILES [?]:
Cc1ccc(c(c1)C)OCC(=O)Nc2c(cc(cc2Cl)Cl)Cl
InChi [?]:
InChI=1/C16H14Cl3NO2/c1-9-3-4-14(10(2)5-9)22-8-15(21)20-16-12(18)6-11(17)7-13(16)19/h3-7H,8H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,8,3,4,7,16,18,10,2,6,17,15,19,5,11,14,21,22,20,13,12,9/E:(6,7)(12,13)(18,19)/rA:22nCCCCCCCCOCCONCCCCCCClClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14Cl3NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.88272 |
Area: | 554.861 |
Solvation: | -3.98882 |
Coulombic: | -29.2267 |
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): | 4.06 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|