ChemSpider 2D Image | N-{2-[(4-Chlorophenyl)(methyl)amino]ethyl}-4-fluoro-Nalpha-[4-(4-morpholinyl)-3-nitrobenzoyl]phenylalaninamide | C29H31ClFN5O5

N-{2-[(4-Chlorophenyl)(methyl)amino]ethyl}-4-fluoro-Nα-[4-(4-morpholinyl)-3-nitrobenzoyl]phenylalaninamide

  • Molecular FormulaC29H31ClFN5O5
  • Average mass584.038 Da
  • Monoisotopic mass583.199768 Da
  • ChemSpider ID121180113

More details:

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

Benzenepropanamide, N-[2-[(4-chlorophenyl)methylamino]ethyl]-4-fluoro-α-[[4-(4-morpholinyl)-3-nitrobenzoyl]amino]- [ACD/Index Name]
N-{2-[(4-Chlorophenyl)(methyl)amino]ethyl}-4-fluoro-Nα-[4-(4-morpholinyl)-3-nitrobenzoyl]phenylalaninamide [ACD/IUPAC Name]
N-{2-[(4-Chlorophényl)(méthyl)amino]éthyl}-4-fluoro-Nα-[4-(4-morpholinyl)-3-nitrobenzoyl]phénylalaninamide [French] [ACD/IUPAC Name]
N-{2-[(4-Chlorphenyl)(methyl)amino]ethyl}-4-fluor-Nα-[4-(4-morpholinyl)-3-nitrobenzoyl]phenylalaninamid [German] [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: 824.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.8±3.0 kJ/mol
Flash Point: 452.4±34.3 °C
Index of Refraction: 1.621
Molar Refractivity: 153.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1381.18
ACD/KOC (pH 5.5): 6070.18
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1451.19
ACD/KOC (pH 7.4): 6377.87
Polar Surface Area: 120 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 436.5±3.0 cm3

Click to predict properties on the Chemicalize site


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