ChemSpider 2D Image | N-{5-[(3S,4R)-1-[(3R)-3-Amino-4-(4-chlorophenyl)butanoyl]-4-(hydroxymethyl)-3-pyrrolidinyl]-2-chlorophenyl}-2-(4-fluorophenyl)acetamide | C29H30Cl2FN3O3

N-{5-[(3S,4R)-1-[(3R)-3-Amino-4-(4-chlorophenyl)butanoyl]-4-(hydroxymethyl)-3-pyrrolidinyl]-2-chlorophenyl}-2-(4-fluorophenyl)acetamide

  • Molecular FormulaC29H30Cl2FN3O3
  • Average mass558.471 Da
  • Monoisotopic mass557.164795 Da
  • ChemSpider ID35034463

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzeneacetamide, N-[5-[(3S,4R)-1-[(3R)-3-amino-4-(4-chlorophenyl)-1-oxobutyl]-4-(hydroxymethyl)-3-pyrrolidinyl]-2-chlorophenyl]-4-fluoro- [ACD/Index Name]
N-{5-[(3S,4R)-1-[(3R)-3-Amino-4-(4-chlorophenyl)butanoyl]-4-(hydroxymethyl)-3-pyrrolidinyl]-2-chlorophenyl}-2-(4-fluorophenyl)acetamide [ACD/IUPAC Name]
N-{5-[(3S,4R)-1-[(3R)-3-Amino-4-(4-chlorophényl)butanoyl]-4-(hydroxyméthyl)-3-pyrrolidinyl]-2-chlorophényl}-2-(4-fluorophényl)acétamide [French] [ACD/IUPAC Name]
N-{5-[(3s,4r)-1-[(3r)-3-Amino-4-(4-Chlorophenyl)butanoyl]-4-(Hydroxymethyl)pyrrolidin-3-Yl]-2-Chlorophenyl}-2-(4-Fluorophenyl)acetamide
N-{5-[(3S,4R)-1-[(3R)-3-Amino-4-(4-chlorphenyl)butanoyl]-4-(hydroxymethyl)-3-pyrrolidinyl]-2-chlorphenyl}-2-(4-fluorphenyl)acetamid [German] [ACD/IUPAC Name]
UEK

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

Density: 1.4±0.1 g/cm3
Boiling Point: 776.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.6±3.0 kJ/mol
Flash Point: 423.5±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 147.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 1.99
ACD/KOC (pH 5.5): 11.99
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 101.66
ACD/KOC (pH 7.4): 611.98
Polar Surface Area: 96 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 413.4±3.0 cm3

Click to predict properties on the Chemicalize site


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