ChemSpider 2D Image | 2-[4-Methoxy-3-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]pentanoic acid | C22H24F3NO4

2-[4-Methoxy-3-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]pentanoic acid

  • Molecular FormulaC22H24F3NO4
  • Average mass423.426 Da
  • Monoisotopic mass423.165741 Da
  • ChemSpider ID23284778

More details:

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

2-[4-Methoxy-3-({[4-(trifluormethyl)benzoyl]amino}methyl)benzyl]pentansäure [German] [ACD/IUPAC Name]
2-[4-Methoxy-3-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]pentanoic acid [ACD/IUPAC Name]
Acide 2-[4-méthoxy-3-({[4-(trifluorométhyl)benzoyl]amino}méthyl)benzyl]pentanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-methoxy-α-propyl-3-[[[4-(trifluoromethyl)benzoyl]amino]methyl]- [ACD/Index Name]
2-{4-methoxy-3-[(4-trifluoromethylbenzoylamino)-methyl]phenylmethyl}pentanoic acid
CHEMBL229786

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

Density: 1.2±0.1 g/cm3
Boiling Point: 568.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 297.4±30.1 °C
Index of Refraction: 1.530
Molar Refractivity: 105.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 174.67
ACD/KOC (pH 5.5): 814.01
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 2.78
ACD/KOC (pH 7.4): 12.96
Polar Surface Area: 76 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 341.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement