ChemSpider 2D Image | N-{2-Chloro-5-[(3S,4R)-1-[(3R)-4-(4-chlorophenyl)-3-hydroxybutanoyl]-4-(hydroxymethyl)-3-pyrrolidinyl]phenyl}-2-(4-fluorophenyl)acetamide | C29H29Cl2FN2O4

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

  • Molecular FormulaC29H29Cl2FN2O4
  • Average mass559.456 Da
  • Monoisotopic mass558.148865 Da
  • ChemSpider ID35034672
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

Benzeneacetamide, N-[2-chloro-5-[(3S,4R)-1-[(3R)-4-(4-chlorophenyl)-3-hydroxy-1-oxobutyl]-4-(hydroxymethyl)-3-pyrrolidinyl]phenyl]-4-fluoro- [ACD/Index Name]
N-{2-Chlor-5-[(3S,4R)-1-[(3R)-4-(4-chlorphenyl)-3-hydroxybutanoyl]-4-(hydroxymethyl)-3-pyrrolidinyl]phenyl}-2-(4-fluorphenyl)acetamid [German] [ACD/IUPAC Name]
N-{2-Chloro-5-[(3S,4R)-1-[(3R)-4-(4-chlorophenyl)-3-hydroxybutanoyl]-4-(hydroxymethyl)-3-pyrrolidinyl]phenyl}-2-(4-fluorophenyl)acetamide [ACD/IUPAC Name]
N-{2-Chloro-5-[(3S,4R)-1-[(3R)-4-(4-chlorophényl)-3-hydroxybutanoyl]-4-(hydroxyméthyl)-3-pyrrolidinyl]phényl}-2-(4-fluorophényl)acétamide [French] [ACD/IUPAC Name]
N-{2-Chloro-5-[(3s,4r)-1-[(3r)-4-(4-Chlorophenyl)-3-Hydroxybutanoyl]-4-(Hydroxymethyl)pyrrolidin-3-Yl]phenyl}-2-(4-Fluorophenyl)acetamide
YAU

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 786.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 429.6±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 145.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 554.32
ACD/KOC (pH 5.5): 3203.21
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 554.32
ACD/KOC (pH 7.4): 3203.21
Polar Surface Area: 90 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 407.3±3.0 cm3

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