ChemSpider 2D Image | N-[(3S,4R)-6-Acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-chloro-4-fluorobenzamide | C20H19ClFNO4

N-[(3S,4R)-6-Acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-chloro-4-fluorobenzamide

  • Molecular FormulaC20H19ClFNO4
  • Average mass391.821 Da
  • Monoisotopic mass391.098663 Da
  • ChemSpider ID82963365

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzamide, N-[(3S,4R)-6-acetyl-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]-3-chloro-4-fluoro- [ACD/Index Name]
N-[(3S,4R)-6-Acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-chlor-4-fluorbenzamid [German] [ACD/IUPAC Name]
N-[(3S,4R)-6-Acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-chloro-4-fluorobenzamide [ACD/IUPAC Name]
N-[(3S,4R)-6-Acétyl-3-hydroxy-2,2-diméthyl-3,4-dihydro-2H-chromén-4-yl]-3-chloro-4-fluorobenzamide [French] [ACD/IUPAC 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: 554.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 289.2±30.1 °C
Index of Refraction: 1.612
Molar Refractivity: 98.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 354.70
ACD/KOC (pH 5.5): 2326.99
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 354.68
ACD/KOC (pH 7.4): 2326.90
Polar Surface Area: 76 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 283.4±5.0 cm3

Click to predict properties on the Chemicalize site


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