4,4-Difluoro-N-[(1S)-3-hydroxy-1-phenylpropyl]cyclohexanecarboxamide

C₁₆H₂₁F₂NO₂CAS 376348-77-5297.35 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₁₆H₂₁F₂NO₂
Molar mass: 297.35 g/mol
Exact mass: 297.1540 Da
Melting point: 119.2 °C
logP: 3.89Crippen estimate
Polar surface area: 52.8 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

376348-77-5

SMILES

OCC[C@H](N=C(O)C1CCC(F)(F)CC1)c1ccccc1

InChIKey

OOIJZFMUKIGIRX-AWEZNQCLSA-N

InChI

InChI=1S/C16H21F2NO2/c17-16(18)9-6-13(7-10-16)15(21)19-14(8-11-20)12-4-2-1-3-5-12/h1-5,13-14,20H,6-11H2,(H,19,21)/t14-/m0/s1

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Names and synonyms

4 names

Cyclohexanecarboxamide, 4,4-difluoro-N-[(1S)-3-hydroxy-1-phenylpropyl]-
4,4-Difluoro-N-((1S)-3-hydroxy-1-phenylpropyl)cyclohexanecarboxamide
UK 453465
(S)-4,4-Difluoro-N-(3-hydroxy-1-phenylpropyl)cyclohexanecarboxamide

Work with 4,4-Difluoro-N-[(1S)-3-hydroxy-1-phenylpropyl]cyclohexanecarboxamide

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

4,4-Difluoro-N-[(1S)-3-oxo-1-phenylpropyl]cyclohexanecarboxamide376348-78-669 % similar Maraviroc376348-65-149 % similar γ-Phenylbenzenepropanol20017-67-837 % similar 4,4-Difluorocyclohexanecarboxylic acid122665-97-835 % similar γ-Aminobenzenepropanol14593-04-535 % similar (R)-3-Amino-3-phenylpropan-1-ol170564-98-435 % similar (-)-3-Amino-3-phenylpropanol82769-76-435 % similar (-)-4-Phenyl-2-oxazolidinone90319-52-135 % similar

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

Elsewhere

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