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C₁₉H₁₄F₃N₃O₃CAS 841205-47-8389.33 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Amide Ether Nitrile

Properties

Molecular formula: C₁₉H₁₄F₃N₃O₃
Molar mass: 389.33 g/mol
Exact mass: 389.0987 Da
logP: 3.22Crippen estimate
Polar surface area: 106.1 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Hazards

Warning

H361fd Suspected of damaging fertility; Suspected of damaging the unborn child100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number

841205-47-8

SMILES

C[C@](COC1=CC=C(C=C1)C#N)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O

InChIKey

JNGVJMBLXIUVRD-SFHVURJKSA-N

InChI

InChI=1S/C19H14F3N3O3/c1-18(27,11-28-15-6-2-12(9-23)3-7-15)17(26)25-14-5-4-13(10-24)16(8-14)19(20,21)22/h2-8,27H,11H2,1H3,(H,25,26)/t18-/m0/s1

Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR

Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.98 (d, J = 1.6 Hz, 1H), 7.86 (m, J = 7.7, 1.6 Hz, 1H), 7.79 (m, J = 7.7 Hz, 1H), 7.63 (d, J = 7.7 Hz, 2H), 7.40 (br s, 1H), 7.06 (d, J = 7.7 Hz, 2H), 4.61 (s, 2H), 2.00 (br s, 1H), 1.47 (s, 3H).

¹³C NMR

Predicted ¹³C NMR (101 MHz, CDCl₃) δ 171.1, 164.1, 142.8, 134.8 (q, J(C,F) = 32.5 Hz), 133.0, 132.6, 124.3, 124.3 (q, J(C,F) = 272.0 Hz), 118.7, 118.7, 117.8 (q, J(C,F) = 3.8 Hz), 114.6, 104.9 (q, J(C,F) = 3.8 Hz), 104.7, 81.2, 80.0, 19.6.

[M + H]+

[M + H]+ Calcd for C19H15F3N3O3 390.1060

[M + Na]+

[M + Na]+ Calcd for C19H14F3N3NaO3 412.0879

[M − H]−

[M − H]− Calcd for C19H13F3N3O3 388.0914

Elemental analysis

Anal. Calcd for C19H14F3N3O3: C, 58.62; H, 3.62; N, 10.79.

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Mk 2866
Propanamide, 3-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-, (2S)-
(2S)-3-(4-Cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
(S)-N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide
Ostarine
GTx 024
SARM S-22

Work with Enobosarm

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ostarine(mk-2866)1202044-20-9Labelled

Similar compounds

(2S)-3-(4-Chloro-3-fluorophenoxy)-N-(4-cyano-3-(trifluoromethyl)phenyl)-2-hydroxy-2-methylpropanamide1010396-29-875 % similar N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropanamide90356-78-862 % similar N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxiranecarboxamide90357-51-061 % similar (R)-Bicalutamide113299-40-459 % similar Bicalutamide90357-06-559 % similar Andarine401900-40-155 % similar N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methylacrylamide90357-53-247 % similar Hydroxyflutamide52806-53-838 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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