ChemSpider 2D Image | 1-(4-Bromo-3-methylphenyl)-N-[2-fluoro-6-(1-pyrrolidinyl)phenyl]-5-oxo-3-pyrrolidinecarboxamide | C22H23BrFN3O2

1-(4-Bromo-3-methylphenyl)-N-[2-fluoro-6-(1-pyrrolidinyl)phenyl]-5-oxo-3-pyrrolidinecarboxamide

  • Molecular FormulaC22H23BrFN3O2
  • Average mass460.339 Da
  • Monoisotopic mass459.095764 Da
  • ChemSpider ID70513672

More details:






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

1-(4-Brom-3-methylphenyl)-N-[2-fluor-6-(1-pyrrolidinyl)phenyl]-5-oxo-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
1-(4-Bromo-3-methylphenyl)-N-[2-fluoro-6-(1-pyrrolidinyl)phenyl]-5-oxo-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
1-(4-Bromo-3-méthylphényl)-N-[2-fluoro-6-(1-pyrrolidinyl)phényl]-5-oxo-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxamide, 1-(4-bromo-3-methylphenyl)-N-[2-fluoro-6-(1-pyrrolidinyl)phenyl]-5-oxo- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 712.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 384.5±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 113.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 641.06
ACD/KOC (pH 5.5): 3280.42
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 846.73
ACD/KOC (pH 7.4): 4332.85
Polar Surface Area: 53 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 310.3±3.0 cm3

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