Basic information
- CAS
328113-27-5- Standard SMILES
CC1(C)CC(=O)C/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)C1- InChIKey
YVTZQTYIRSOZPH-ODLFYWEKSA-N- Molecular formula
- C16H18Cl2N2O3
- Average molar mass
- 357.2 g/mol
- Monoisotopic mass
- 356.0694478
Names & identifiers
- Preferred name
- 2-(2,4-dichlorophenoxy)-N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]acetamide
- IUPAC
- 2-(2,4-dichlorophenoxy)-N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]acetamide
Names & synonyms
2-(2,4-dichlorophenoxy)-N'-[(1E)-3,3-dimethyl-5-oxocyclohexylidene]acetohydrazide2-(2,4-dichlorophenoxy)-N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]acetamide328113-27-5MLS000332931CHEMBL3198463DTXSID701331837STK951927AKOS002314747SMR000436214ST50769881(2,4-Dichloro-phenoxy)-acetic acid [3,3-dimethyl-5-oxo-cyclohex-(E)-ylidene]-hydrazide(E)-2-(2,4-dichlorophenoxy)-N'-(3,3-dimethyl-5-oxocyclohexylidene)acetohydrazide
Show more names
2-(2,4-dichlorophenoxy)-N-[(5,5-dimethyl-3-oxocyclohexylidene)azamethyl]acetam ide
Database identifiers
- CAS
328113-27-5- PubChem CID
- 6506000
- DTXSID
DTXSID701331837- ChEMBL
CHEMBL3198463
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 494
Experimental & physicochemical properties
Solubility6.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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