1-Benzyl-5-(4-chlorophenyl)-2,3-dihydropyridin-4(1H)-one
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Basic information
- CAS
1017601-63-6- Standard SMILES
O=C1CCN(Cc2ccccc2)C=C1c1ccc(Cl)cc1- InChIKey
GHESOWUDMAIONA-UHFFFAOYSA-N- Molecular formula
- C18H16ClNO
- Average molar mass
- 297.8 g/mol
- Monoisotopic mass
- 297.0920418
Names & identifiers
- Preferred name
- 1-Benzyl-5-(4-chlorophenyl)-2,3-dihydropyridin-4(1H)-one
- IUPAC
- 1-benzyl-5-(4-chlorophenyl)-2,3-dihydropyridin-4-one
- English name
- 1-BENZYL-5-(4-CHLOROPHENYL)-2,3-DIHYDRO-4-PYRIDINONE
- Molecular formula
- C18H16ClNO
- Molecular weight
- 297.78
Names & synonyms
1017601-63-6DTXSID306578491-Benzyl-5-(4-chlorophenyl)-2,3-dihydropyridin-4(1H)-oneRefChem:228104DTXCID306085981-Benzyl-5-(4-chlorophenyl)-2,3-dihydro-4-pyridinone1-benzyl-5-(4-chlorophenyl)-2,3-dihydropyridin-4-oneMLS002473373CHEMBL2140026HMS2217I05HMS3326I13SMR001397465
Show more names
1-BENZYL-5-(4-CHLORO-PHENYL)-2,3-DIHYDRO-1H-PYRIDIN-4-ONE4(1H)-Pyridinone, 3-(4-chlorophenyl)-5,6-dihydro-1-(phenylmethyl)-
DB-311848
Database identifiers
- CAS
1017601-63-6- PubChem CID
- 44202089
- DTXSID
DTXSID30657849- ChEMBL
CHEMBL2140026- Nikkaji
- J2.583.491G
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 392
Physicochemical properties
- Boiling point
- 461.7 · 461.7±45.0 °C(Predicted)
- Density
- 1.242 · 1.242±0.06 g/cm3(Predicted)
- pka
- 2.63 · 2.63±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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