ChemDB: Chemical Search
Download
Chemical ID: 4146137
Chemical ID:
4146137
Name [?]:
2-(4-chloro-3-methyl-phenoxy)-N-phenyl-acetamide
SMILES [?]:
Cc1cc(ccc1Cl)OCC(=O)Nc2ccccc2
InChi [?]:
InChI=1/C15H14ClNO2/c1-11-9-13(7-8-14(11)16)19-10-15(18)17-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,19,5,6,3,10,2,14,4,7,11,8,13,12,9/E:(3,4)(5,6)/rA:19nCCCCCCCClOCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14ClNO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.89979 |
Area: | 476.02 |
Solvation: | -4.00072 |
Coulombic: | -29.2386 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 275.73 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.52 |
LogP (Chemaxon): | 3.86 |
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 |
---|