ChemSpider 2D Image | (1R,2R)-N-[(2S)-2-Amino-4-methylpentyl]-N-(3'-fluoro-4-biphenylyl)-2-phenylcyclopropanecarboxamide | C28H31FN2O

(1R,2R)-N-[(2S)-2-Amino-4-methylpentyl]-N-(3'-fluoro-4-biphenylyl)-2-phenylcyclopropanecarboxamide

  • Molecular FormulaC28H31FN2O
  • Average mass430.557 Da
  • Monoisotopic mass430.242035 Da
  • ChemSpider ID58989355

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2R)-N-[(2S)-2-Amino-4-methylpentyl]-N-(3'-fluor-4-biphenylyl)-2-phenylcyclopropancarboxamid [German] [ACD/IUPAC Name]
(1R,2R)-N-[(2S)-2-Amino-4-methylpentyl]-N-(3'-fluoro-4-biphenylyl)-2-phenylcyclopropanecarboxamide [ACD/IUPAC Name]
(1R,2R)-N-[(2S)-2-Amino-4-méthylpentyl]-N-(3'-fluoro-4-biphénylyl)-2-phénylcyclopropanecarboxamide [French] [ACD/IUPAC Name]
Cyclopropanecarboxamide, N-[(2S)-2-amino-4-methylpentyl]-N-(3'-fluoro[1,1'-biphenyl]-4-yl)-2-phenyl-, (1R,2R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 584.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 307.1±30.1 °C
Index of Refraction: 1.606
Molar Refractivity: 127.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 2.70
ACD/KOC (pH 5.5): 9.73
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 32.00
ACD/KOC (pH 7.4): 115.27
Polar Surface Area: 46 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 371.0±3.0 cm3

Click to predict properties on the Chemicalize site


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