ChemDB: Chemical Search
Download
Chemical ID: 7467366
Chemical ID:
7467366
Name [?]:
2-(4-chloro-3,5-dimethyl-phenoxy)-N-(2,3-dichlorophenyl)-acetamide
SMILES [?]:
Cc1cc(cc(c1Cl)C)OCC(=O)Nc2cccc(c2Cl)Cl
InChi [?]:
InChI=1/C16H14Cl3NO2/c1-9-6-11(7-10(2)15(9)18)22-8-14(21)20-13-5-3-4-12(17)16(13)19/h3-7H,8H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,9,17,18,16,3,5,11,2,6,4,19,15,12,7,20,22,8,21,14,13,10/E:(1,2)(6,7)(9,10)/rA:22nCCCCCCCClCOCCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14Cl3NO2 |
All Atoms: | 36 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1265 |
Area: | 548.928 |
Solvation: | -3.59667 |
Coulombic: | -30.1007 |
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: | 4.99 |
LogP (Chemaxon): | 4.71 |
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 |
---|