Basic information
- CAS
338981-08-1- Standard SMILES
CN(C)CCNC(=O)c1cc(Cl)cn(Cc2ccc(Cl)c(Cl)c2)c1=O- InChIKey
PPHWTCBHCKVMSC-UHFFFAOYSA-N- Molecular formula
- C17H18Cl3N3O2
- Average molar mass
- 402.7 g/mol
Names & identifiers
- Preferred name
- 5-chloro-1-(3,4-dichlorobenzyl)-N-[2-(dimethylamino)ethyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide
- IUPAC
- 5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide
- English name
- 5-Chloro-1-(3,4-dichlorobenzyl)-N-[2-(dimethylamino)ethyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide
- Molecular formula
- C17H18Cl3N3O2
- Molecular weight
- 402.7
Names & synonyms
338981-08-15-chloro-1-(3,4-dichlorobenzyl)-N-[2-(dimethylamino)ethyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-oxo-1,2-dihydropyridine-3-carboxamide5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamideOprea1_367327AKOS0050991727E-374S3-Pyridinecarboxamide, 5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1,2-dihydro-2-oxo-
Database identifiers
- CAS
338981-08-1
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 577
Physicochemical properties
- Boiling point
- 565.2 · 565.2±50.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 12.72 · 12.72±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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