ChemSpider 2D Image | N-(4-Chloro-2,5-dimethoxyphenyl)-4-fluoro-Nalpha-[3-(2-oxo-1-pyrrolidinyl)benzoyl]phenylalaninamide | C28H27ClFN3O5

N-(4-Chloro-2,5-dimethoxyphenyl)-4-fluoro-Nα-[3-(2-oxo-1-pyrrolidinyl)benzoyl]phenylalaninamide

  • Molecular FormulaC28H27ClFN3O5
  • Average mass539.982 Da
  • Monoisotopic mass539.162354 Da
  • ChemSpider ID120693752

More details:

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

Benzenepropanamide, N-(4-chloro-2,5-dimethoxyphenyl)-4-fluoro-α-[[3-(2-oxo-1-pyrrolidinyl)benzoyl]amino]- [ACD/Index Name]
N-(4-Chlor-2,5-dimethoxyphenyl)-4-fluor-Nα-[3-(2-oxo-1-pyrrolidinyl)benzoyl]phenylalaninamid [German] [ACD/IUPAC Name]
N-(4-Chloro-2,5-dimethoxyphenyl)-4-fluoro-Nα-[3-(2-oxo-1-pyrrolidinyl)benzoyl]phenylalaninamide [ACD/IUPAC Name]
N-(4-Chloro-2,5-diméthoxyphényl)-4-fluoro-Nα-[3-(2-oxo-1-pyrrolidinyl)benzoyl]phénylalaninamide [French] [ACD/IUPAC 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: 810.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.8±3.0 kJ/mol
Flash Point: 444.0±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 141.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 342.14
ACD/KOC (pH 5.5): 2267.70
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 342.13
ACD/KOC (pH 7.4): 2267.60
Polar Surface Area: 97 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 400.0±3.0 cm3

Click to predict properties on the Chemicalize site


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