Basic information
- CAS
338781-30-9- Standard SMILES
CCN(CC)C(=O)c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1- InChIKey
WGLWPBUCOKQHOT-UHFFFAOYSA-N- Molecular formula
- C17H18Cl2N2O2
- Average molar mass
- 353.2 g/mol
Names & identifiers
- Preferred name
- 1-(3,4-dichlorobenzyl)-N,N-diethyl-6-oxo-1,6-dihydro-3-pyridinecarboxamide
- IUPAC
- 1-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-6-oxopyridine-3-carboxamide
- English name
- 1-(3,4-Dichlorobenzyl)-N,N-diethyl-6-oxo-1,6-dihydro-3-pyridinecarboxamide
- Molecular formula
- C17H18Cl2N2O2
- Molecular weight
- 353.24
Names & synonyms
338781-30-91-(3,4-dichlorobenzyl)-N,N-diethyl-6-oxo-1,6-dihydro-3-pyridinecarboxamide1-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-6-oxopyridine-3-carboxamide1-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-6-oxo-1,6-dihydropyridine-3-carboxamideOprea1_749461AKOS0050966636E-303S1-(3,4-Dichlorobenzyl)-N,N-diethyl-6-oxo-1,6-dihydropyridine-3-carboxamide3-Pyridinecarboxamide, 1-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-1,6-dihydro-6-oxo-
Database identifiers
- CAS
338781-30-9
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 515
Physicochemical properties
- Boiling point
- 539.5 · 539.5±50.0 °C(Predicted)
- Density
- 1.314 · 1.314±0.06 g/cm3(Predicted)
- pka
- -1.13 · -1.13±0.20(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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