chempirical

Nilutamide

C12H10F3N3O4CAS 63612-50-0317.22 g/mol

Open in Covalent MOL file
HNONN+OO−FFFO
Alkyl halideAmideLactamNitro

Properties

Molecular formula
C12H10F3N3O4
Molar mass
317.22 g/mol
Exact mass
317.0623 Da
Melting point
152–153 °C
logP
2.65Crippen estimate
Polar surface area
96.0 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
63612-50-0
SMILES
CC1(C)N=C(O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O
InChIKey
XWXYUMMDTVBTOU-UHFFFAOYSA-N
InChI
InChI=1S/C12H10F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20)

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Names and synonyms

10 names
  • 2,4-Imidazolidinedione, 5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-
  • 5,5-Dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-2,4-imidazolidinedione
  • RU 23908
  • Anandron
  • RU 23908-10
  • Nilandron
  • 1-(3-Trifluoromethyl-4-nitrophenyl)-4,4-dimethylimidazoline-2,5-dione
  • Nilandrone
  • 1-(3-Trifluoromethyl-4-nitrophenyl)-4,4-dimethylimidazolidine-2,5-dione
  • 5,5-Dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

Work with Nilutamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Hydroxyflutamide52806-53-848 % similar Flutamide13311-84-747 % similar 5-Chloro-2-nitrobenzotrifluoride118-83-245 % similar Tfm (piscicide)88-30-245 % similar 4-Fluoro-1-nitro-2-(trifluoromethyl)benzene393-09-944 % similar 4-Nitro-3-(trifluoromethyl)aniline393-11-343 % similar 3-Nitro-4-(trifluoromethyl)benzoic acid116965-16-342 % similar 2-Nitrobenzotrifluoride384-22-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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