ChemSpider 2D Image | 4-(2-{[2-(3,4-Dichlorophenyl)-3-methylbutanoyl]amino}-3-[(3-fluoro-4-methylphenyl)amino]-3-oxopropyl)phenyl acetate | C29H29Cl2FN2O4

4-(2-{[2-(3,4-Dichlorophenyl)-3-methylbutanoyl]amino}-3-[(3-fluoro-4-methylphenyl)amino]-3-oxopropyl)phenyl acetate

  • Molecular FormulaC29H29Cl2FN2O4
  • Average mass559.456 Da
  • Monoisotopic mass558.148865 Da
  • ChemSpider ID120816888

More details:

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

4-(2-{[2-(3,4-Dichlorophenyl)-3-methylbutanoyl]amino}-3-[(3-fluoro-4-methylphenyl)amino]-3-oxopropyl)phenyl acetate [ACD/IUPAC Name]
4-(2-{[2-(3,4-Dichlorphenyl)-3-methylbutanoyl]amino}-3-[(3-fluor-4-methylphenyl)amino]-3-oxopropyl)phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-(2-{[2-(3,4-dichlorophényl)-3-méthylbutanoyl]amino}-3-[(3-fluoro-4-méthylphényl)amino]-3-oxopropyl)phényle [French] [ACD/IUPAC Name]
Benzenepropanamide, 4-(acetyloxy)-α-[[2-(3,4-dichlorophenyl)-3-methyl-1-oxobutyl]amino]-N-(3-fluoro-4-methylphenyl)- [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: 746.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 405.3±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 146.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.52
ACD/LogD (pH 5.5): 6.30
ACD/BCF (pH 5.5): 35950.63
ACD/KOC (pH 5.5): 63468.46
ACD/LogD (pH 7.4): 6.30
ACD/BCF (pH 7.4): 35950.43
ACD/KOC (pH 7.4): 63468.11
Polar Surface Area: 85 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 432.4±3.0 cm3

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