ChemSpider 2D Image | Nalpha-(2-Chloro-5-nitrobenzoyl)-4-fluoro-N-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]phenylalaninamide | C28H27ClFN3O5

Nα-(2-Chloro-5-nitrobenzoyl)-4-fluoro-N-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]phenylalaninamide

  • Molecular FormulaC28H27ClFN3O5
  • Average mass539.982 Da
  • Monoisotopic mass539.162354 Da
  • ChemSpider ID121176892

More details:

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

Benzenepropanamide, α-[(2-chloro-5-nitrobenzoyl)amino]-N-[2-(2,3-dihydro-6-methoxy-1H-inden-1-yl)ethyl]-4-fluoro- [ACD/Index Name]
Nα-(2-Chlor-5-nitrobenzoyl)-4-fluor-N-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]phenylalaninamid [German] [ACD/IUPAC Name]
Nα-(2-Chloro-5-nitrobenzoyl)-4-fluoro-N-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]phenylalaninamide [ACD/IUPAC Name]
Nα-(2-Chloro-5-nitrobenzoyl)-4-fluoro-N-[2-(6-méthoxy-2,3-dihydro-1H-indén-1-yl)éthyl]phénylalaninamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 743.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 403.5±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 141.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3050.76
ACD/KOC (pH 5.5): 10857.60
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3050.14
ACD/KOC (pH 7.4): 10855.38
Polar Surface Area: 113 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 409.4±3.0 cm3

Click to predict properties on the Chemicalize site


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