ChemSpider 2D Image | N-[3-(4,5'-Bipyrimidin-2-ylamino)-4-methylphenyl]-4-{[(3R)-3-(dimethylamino)-1-pyrrolidinyl]methyl}-3-(trifluoromethyl)benzamide | C30H31F3N8O

N-[3-(4,5'-Bipyrimidin-2-ylamino)-4-methylphenyl]-4-{[(3R)-3-(dimethylamino)-1-pyrrolidinyl]methyl}-3-(trifluoromethyl)benzamide

  • Molecular FormulaC30H31F3N8O
  • Average mass576.615 Da
  • Monoisotopic mass576.257263 Da
  • ChemSpider ID9390377

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-[3-([4,5'-bipyrimidin]-2-ylamino)-4-methylphenyl]-4-[[(3R)-3-(dimethylamino)-1-pyrrolidinyl]methyl]-3-(trifluoromethyl)- [ACD/Index Name]
N-[3-(4,5'-Bipyrimidin-2-ylamino)-4-methylphenyl]-4-{[(3R)-3-(dimethylamino)-1-pyrrolidinyl]methyl}-3-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-[3-(4,5'-Bipyrimidin-2-ylamino)-4-methylphenyl]-4-{[(3R)-3-(dimethylamino)-1-pyrrolidinyl]methyl}-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-[3-(4,5'-Bipyrimidin-2-ylamino)-4-méthylphényl]-4-{[(3R)-3-(diméthylamino)-1-pyrrolidinyl]méthyl}-3-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
N-[3-(4,5'-bipyrimidin-2-ylamino)-4-methylphenyl]-4-{[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl)benzamide
4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-N-(4-methyl-3-(4-(pyrimidin-5-yl)pyrimidin-2-ylamino)phenyl)-3-(trifluoromethyl)benzamide
4-[[(3R)-3-(Dimethylamino)pyrrolidin-1-yl]methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
859212-16-1 [RN]
887650-05-7 [RN]
Bafetinib [INN] [USAN] [Wiki]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 151.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.56
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 11.24
ACD/KOC (pH 7.4): 76.07
Polar Surface Area: 99 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 67.1±5.0 dyne/cm
Molar Volume: 421.3±5.0 cm3

Click to predict properties on the Chemicalize site


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