ChemSpider 2D Image | 5-Bromo-N-{[(2R)-1-(4-fluorobenzyl)-2-pyrrolidinyl]methyl}-2,3-dimethoxybenzamide | C21H24BrFN2O3

5-Bromo-N-{[(2R)-1-(4-fluorobenzyl)-2-pyrrolidinyl]methyl}-2,3-dimethoxybenzamide

  • Molecular FormulaC21H24BrFN2O3
  • Average mass451.329 Da
  • Monoisotopic mass450.095428 Da
  • ChemSpider ID23242335
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

5-Brom-N-{[(2R)-1-(4-fluorbenzyl)-2-pyrrolidinyl]methyl}-2,3-dimethoxybenzamid [German] [ACD/IUPAC Name]
5-Bromo-N-{[(2R)-1-(4-fluorobenzyl)-2-pyrrolidinyl]methyl}-2,3-dimethoxybenzamide [ACD/IUPAC Name]
5-Bromo-N-{[(2R)-1-(4-fluorobenzyl)-2-pyrrolidinyl]méthyl}-2,3-diméthoxybenzamide [French] [ACD/IUPAC Name]
5-bromo-N-{[(2R)-1-(4-fluorobenzyl)pyrrolidin-2-yl]methyl}-2,3-dimethoxybenzamide
Benzamide, 5-bromo-N-[[(2R)-1-[(4-fluorophenyl)methyl]-2-pyrrolidinyl]methyl]-2,3-dimethoxy- [ACD/Index Name]
(R) 5-Bromo-N-[1-(4-fluoro-benzyl)-pyrrolidin-2-ylmethyl]-2,3-dimethoxy-benzamide
5-Bromo-N-[[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 496.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 254.0±28.7 °C
Index of Refraction: 1.577
Molar Refractivity: 110.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.68
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 31.39
ACD/KOC (pH 7.4): 226.32
Polar Surface Area: 51 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 332.3±3.0 cm3

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