ChemSpider 2D Image | 4-(1-(3-chloro-4-(N-(2-methylphenyl)ureido)phenylacetyl)-4-fluoropyrrolidine-2-yl)methoxybenzoic acid | C28H27ClFN3O5

4-(1-(3-chloro-4-(N-(2-methylphenyl)ureido)phenylacetyl)-4-fluoropyrrolidine-2-yl)methoxybenzoic acid

  • Molecular FormulaC28H27ClFN3O5
  • Average mass539.982 Da
  • Monoisotopic mass539.162354 Da
  • ChemSpider ID21377257

More details:

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

4-(1-(3-chloro-4-(N-(2-methylphenyl)ureido)phenylacetyl)-4-fluoropyrrolidine-2-yl)methoxybenzoic acid
4-{[1-({4-[Carbamoyl(2-methylphenyl)amino]-3-chlorophenyl}acetyl)-4-fluoro-2-pyrrolidinyl]methoxy}benzoic acid [ACD/IUPAC Name]
4-{[1-({4-[Carbamoyl(2-methylphenyl)amino]-3-chlorphenyl}acetyl)-4-fluor-2-pyrrolidinyl]methoxy}benzoesäure [German] [ACD/IUPAC Name]
Acide 4-{[1-(2-{4-[carbamoyl(2-méthylphényl)amino]-3-chlorophényl}acétyl)-4-fluoro-2-pyrrolidinyl]méthoxy}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[1-[2-[4-[(aminocarbonyl)(2-methylphenyl)amino]-3-chlorophenyl]acetyl]-4-fluoro-2-pyrrolidinyl]methoxy]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 755.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.5±3.0 kJ/mol
Flash Point: 410.5±35.7 °C
Index of Refraction: 1.662
Molar Refractivity: 140.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 74.63
ACD/KOC (pH 5.5): 374.79
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 1.66
ACD/KOC (pH 7.4): 8.32
Polar Surface Area: 113 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 69.6±5.0 dyne/cm
Molar Volume: 379.0±5.0 cm3

Click to predict properties on the Chemicalize site


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