(2,3-dichlorophenyl)-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]methanone
Completing data — refresh the page later to see the latest
Basic information
- CAS
477870-32-9- Standard SMILES
O=C(c1c[nH]c(C(=O)N2CCN(c3ccccc3F)CC2)c1)c1cccc(Cl)c1Cl- InChIKey
YVUVBOWZKDSKHW-UHFFFAOYSA-N- Molecular formula
- C22H18Cl2FN3O2
- Average molar mass
- 446.3 g/mol
- Monoisotopic mass
- 445.0760104
Names & identifiers
- Preferred name
- (2,3-dichlorophenyl)-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]methanone
- IUPAC
- (2,3-dichlorophenyl)-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]methanone
- English name
- (2,3-DICHLOROPHENYL)(5-([4-(2-FLUOROPHENYL)PIPERAZINO]CARBONYL)-1H-PYRROL-3-YL)METHANONE
- Molecular formula
- C22H18Cl2FN3O2
- Molecular weight
- 446.3
Names & synonyms
477870-32-91-[4-(2,3-dichlorobenzoyl)-1H-pyrrole-2-carbonyl]-4-(2-fluorophenyl)piperazine(2,3-dichlorophenyl)-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]methanoneOprea1_271541MLS000721532CHEMBL1450652HMS2701A10AKOS005083456SMR0003358441R-0026(2,3-DICHLOROPHENYL)(5-([4-(2-FLUOROPHENYL)PIPERAZINO]CARBONYL)-1H-PYRROL-3-YL)METHANONEPiperazine, 1-[[4-(2,3-dichlorobenzoyl)-1H-pyrrol-2-yl]carbonyl]-4-(2-fluorophenyl)- (9CI)
Database identifiers
- CAS
477870-32-9- PubChem CID
- 1491151
- ChEMBL
CHEMBL1450652
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 56.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 632
Physicochemical properties
- Boiling point
- 672.7 · 672.7±55.0 °C(Predicted)
- Density
- 1.419 · 1.419±0.06 g/cm3(Predicted)
- pka
- 13.91 · 13.91±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…