Basic information
- CAS
142458-16-0- Standard SMILES
COC(=O)C1C(=O)C=C(Nc2ccc(Cl)cc2)CC1C- InChIKey
XFETUZOSYZRHMX-UHFFFAOYSA-N- Molecular formula
- C15H16ClNO3
- Average molar mass
- 293.74 g/mol
- Monoisotopic mass
- 293.0818711
Overview
structure given in first source
Names & identifiers
- Preferred name
- Add 196022
- IUPAC
- methyl 4-(4-chloroanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate
- English name
- ADD 196022
- Molecular formula
- C15H16ClNO3
- Molecular weight
- 293.748
Names & synonyms
Add 196022142458-16-0ADD-196022RefChem:109662Methyl 4-((4-chlorophenyl)amino)-6-methyl-2-oxo-3-cyclohexene-1-carboxylatemethyl 4-(4-chloroanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylateBRN 5441537Methyl 4-((p-chlorophenyl)amino)-6-methyl-2-oxocyclohex-3-en-1-oateCHEMBL61966SCHEMBL6545141DTXSID009314663-Cyclohexene-1-carboxylic acid, 4-((4-chlorophenyl)amino)-6-methyl-2-oxo-, methyl ester
Show more names
PD160494methyl 4-[(p-chlorophenyl) amino]-6-methyl-2-oxo-3-cyclohexen-1-oate
Database identifiers
- CAS
142458-16-0- PubChem CID
- 197322
- DTXSID
DTXSID00931466- ChEMBL
CHEMBL61966- Nikkaji
- J504.416B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 413
Chemistry & industry
Applications
DescriptionADD-196022 is a potent anticonvulsant.
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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