(2S)-3-(4-Chloro-3-fluorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
Properties
- Molecular formula
- C18H13ClF4N2O3
- Molar mass
- 416.76 g/mol
- Exact mass
- 416.0551 Da
- Melting point
- 119–121 °C
- logP
- 4.79Crippen estimate
- Polar surface area
- 85.8 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 5
Identifiers
CAS number
1010396-29-8SMILES
C[C@](O)(COc1ccc(Cl)c(F)c1)C(O)=Nc1ccc(C#N)c(C(F)(F)F)c1InChIKey
SSFVOEAXHZGTRJ-KRWDZBQOSA-NInChI
InChI=1S/C18H13ClF4N2O3/c1-17(27,9-28-12-4-5-14(19)15(20)7-12)16(26)25-11-3-2-10(8-24)13(6-11)18(21,22)23/h2-7,27H,9H2,1H3,(H,25,26)/t17-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Propanamide, 3-(4-chloro-3-fluorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-, (2S)-
- S 23
- S 23 (Contraceptive)