chempirical

4-[3-[4-Cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl]-2-fluorobenzamide

C20H14F4N4O2SCAS 1242137-16-1450.41 g/mol

Open in Covalent MOL file
ONNFFFSNH2NOF
Alkyl halideAmideAryl halideLactamNitrile

Properties

Molecular formula
C20H14F4N4O2S
Molar mass
450.41 g/mol
Exact mass
450.0774 Da
logP
4.52Crippen estimate
Polar surface area
91.4 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Identifiers

CAS number
1242137-16-1
SMILES
CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(C(=N)O)c(F)c1
InChIKey
JSFOGZGIBIQRPU-UHFFFAOYSA-N
InChI
InChI=1S/C20H14F4N4O2S/c1-19(2)17(30)27(11-4-3-10(9-25)14(7-11)20(22,23)24)18(31)28(19)12-5-6-13(16(26)29)15(21)8-12/h3-8H,1-2H3,(H2,26,29)

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Names and synonyms

2 names
  • Benzamide, 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl]-2-fluoro-
  • N-Desmethylenzalutamide

Work with 4-[3-[4-Cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl]-2-fluorobenzamide

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

Enzalutamide carboxylic acid1242137-15-085 % similar Enzalutamide915087-33-177 % similar Apalutamide956104-40-849 % similar 4-[3-(4-Hydroxybutyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl]-2-(trifluoromethyl)benzonitrile154992-24-248 % similar N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxiranecarboxamide90357-51-034 % similar (2S)-3-(4-Chloro-3-fluorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide1010396-29-834 % similar N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methylacrylamide90357-53-234 % similar 4-Fluoro-2-(trifluoromethyl)benzamide207919-06-033 % similar

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

Elsewhere

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