ChemSpider 2D Image | 1-(3-Bromophenyl)-N-{[1-(4-fluorophenyl)-3-pyrrolidinyl]methyl}-5-oxo-3-pyrrolidinecarboxamide | C22H23BrFN3O2

1-(3-Bromophenyl)-N-{[1-(4-fluorophenyl)-3-pyrrolidinyl]methyl}-5-oxo-3-pyrrolidinecarboxamide

  • Molecular FormulaC22H23BrFN3O2
  • Average mass460.339 Da
  • Monoisotopic mass459.095764 Da
  • ChemSpider ID30073963

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(3-Bromophenyl)-N-{[1-(4-fluorophenyl)-3-pyrrolidinyl]methyl}-5-oxo-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
1-(3-Bromophényl)-N-{[1-(4-fluorophényl)-3-pyrrolidinyl]méthyl}-5-oxo-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
1-(3-Bromphenyl)-N-{[1-(4-fluorphenyl)-3-pyrrolidinyl]methyl}-5-oxo-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
3-Pyrrolidinecarboxamide, 1-(3-bromophenyl)-N-[[1-(4-fluorophenyl)-3-pyrrolidinyl]methyl]-5-oxo- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 724.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 392.0±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 111.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 129.38
ACD/KOC (pH 5.5): 1074.18
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 154.49
ACD/KOC (pH 7.4): 1282.66
Polar Surface Area: 53 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 320.9±3.0 cm3

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