Basic information
- CAS
478050-07-6- Standard SMILES
CN1CC(C(=O)c2ccc(Cl)cc2)C(c2ccc(N(C)C)cc2)C1- InChIKey
RBXMSAUXWFTAFL-UHFFFAOYSA-N- Molecular formula
- C20H23ClN2O
- Average molar mass
- 342.9 g/mol
- Monoisotopic mass
- 342.1498911
Names & identifiers
- Preferred name
- (4-chlorophenyl){4-[4-(dimethylamino)phenyl]-1-methyltetrahydro-1H-pyrrol-3-yl}methanone
- IUPAC
- (4-chlorophenyl)-[4-[4-(dimethylamino)phenyl]-1-methylpyrrolidin-3-yl]methanone
- English name
- (4-Chlorophenyl)(4-[4-(dimethylamino)phenyl]-1-methyltetrahydro-1H-pyrrol-3-yl)methanone
- Molecular formula
- C20H23ClN2O
- Molecular weight
- 342.86
Names & synonyms
478050-07-6(4-chlorophenyl){4-[4-(dimethylamino)phenyl]-1-methyltetrahydro-1H-pyrrol-3-yl}methanone4-[4-(4-chlorobenzoyl)-1-methylpyrrolidin-3-yl]-N,N-dimethylaniline(4-chlorophenyl)-[4-[4-(dimethylamino)phenyl]-1-methylpyrrolidin-3-yl]methanone(4-Chlorophenyl)(4-(4-(dimethylamino)phenyl)-1-methylpyrrolidin-3-yl)methanone(4-Chlorophenyl){4-[4-(dimethylamino)phenyl]-1-methylpyrrolidin-3-yl}methanoneOprea1_209052MLS000721109CHEMBL1547221DTXSID201328520HMS2690A09AKOS005093787
Show more names
Methanone, (4-chlorophenyl)[4-[4-(dimethylamino)phenyl]-1-methyl-3-pyrrolidinyl]-(4-Chlorophenyl)(4-[4-(dimethylamino)phenyl]-1-methyltetrahydro-1H-pyrrol-3-yl)methanone
SMR0003352945N-700
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 425
Experimental & physicochemical properties
Solubility47.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 489.4 · 489.4±45.0 °C(Predicted)
- Density
- 1.178 · 1.178±0.06 g/cm3(Predicted)
- pka
- 8.75 · 8.75±0.60(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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