ChemSpider 2D Image | 4-(3-[(3-Chloro-4-fluorophenyl)amino]-2-{[3-(4-chlorophenyl)-4-methylpentanoyl]amino}-3-oxopropyl)phenyl acetate | C29H29Cl2FN2O4

4-(3-[(3-Chloro-4-fluorophenyl)amino]-2-{[3-(4-chlorophenyl)-4-methylpentanoyl]amino}-3-oxopropyl)phenyl acetate

  • Molecular FormulaC29H29Cl2FN2O4
  • Average mass559.456 Da
  • Monoisotopic mass558.148865 Da
  • ChemSpider ID120770670

More details:

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

4-(3-[(3-Chlor-4-fluorphenyl)amino]-2-{[3-(4-chlorphenyl)-4-methylpentanoyl]amino}-3-oxopropyl)phenyl-acetat [German] [ACD/IUPAC Name]
4-(3-[(3-Chloro-4-fluorophenyl)amino]-2-{[3-(4-chlorophenyl)-4-methylpentanoyl]amino}-3-oxopropyl)phenyl acetate [ACD/IUPAC Name]
Acétate de 4-(3-[(3-chloro-4-fluorophényl)amino]-2-{[3-(4-chlorophényl)-4-méthylpentanoyl]amino}-3-oxopropyl)phényle [French] [ACD/IUPAC Name]
Benzenepropanamide, 4-(acetyloxy)-N-(3-chloro-4-fluorophenyl)-α-[[3-(4-chlorophenyl)-4-methyl-1-oxopentyl]amino]- [ACD/Index 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: 756.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 411.4±32.9 °C
Index of Refraction: 1.593
Molar Refractivity: 146.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 6.26
ACD/BCF (pH 5.5): 33632.17
ACD/KOC (pH 5.5): 60511.04
ACD/LogD (pH 7.4): 6.26
ACD/BCF (pH 7.4): 33630.65
ACD/KOC (pH 7.4): 60508.31
Polar Surface Area: 85 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 432.6±3.0 cm3

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