ChemDB: Chemical Search
Download
Chemical ID: 4356068
Chemical ID:
4356068
Name [?]:
N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1C)OCC(=O)Nc2cc(cc(c2)Cl)Cl
InChi [?]:
InChI=1/C16H15Cl2NO2/c1-10-3-4-15(5-11(10)2)21-9-16(20)19-14-7-12(17)6-13(18)8-14/h3-8H,9H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,8,3,4,6,17,15,19,10,2,7,16,18,14,5,11,21,20,13,12,9/E:(7,8)(12,13)(17,18)/rA:21nCCCCCCCCOCCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15Cl2NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.4635 |
Area: | 535.212 |
Solvation: | -3.91679 |
Coulombic: | -28.8982 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 324.201 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.79 |
LogP (Chemaxon): | 4.85 |
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 |
---|