ChemDB: Chemical Search
Download
Chemical ID: 4325012
Chemical ID:
4325012
Name [?]:
N-(2,3-dichlorophenyl)-2-(2,4-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)C)OCC(=O)Nc2cccc(c2Cl)Cl
InChi [?]:
InChI=1/C16H15Cl2NO2/c1-10-6-7-14(11(2)8-10)21-9-15(20)19-13-5-3-4-12(17)16(13)18/h3-8H,9H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,8,16,17,15,3,4,7,10,2,6,18,14,5,11,19,21,20,13,12,9/rA:21nCCCCCCCCOCCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15Cl2NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.47522 |
Area: | 521.116 |
Solvation: | -3.55268 |
Coulombic: | -30.0415 |
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: | 4.58 |
LogP (Chemaxon): | 4.2 |
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 |
---|