5-Bromo-N-((1S,2R)-2-hydroxy-cyclohexyl)-6-(2,2,2-trifluoro-ethoxy)-nicotinamide

HCID 69812295
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Basic information

Standard SMILES
O=C(N[C@H]1CCCC[C@H]1O)c1cnc(OCC(F)(F)F)c(Br)c1
InChIKey
QWZWIONZGGXEJX-WDEREUQCSA-N
Molecular formula
C14H16BrF3N2O3
Average molar mass
397.19 g/mol
Monoisotopic mass
396.02964

Names & identifiers

Preferred name
5-Bromo-N-((1S,2R)-2-hydroxy-cyclohexyl)-6-(2,2,2-trifluoro-ethoxy)-nicotinamide
IUPAC
5-bromo-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

Names & synonyms

5-Bromo-N-((1S,2R)-2-hydroxy-cyclohexyl)-6-(2,2,2-trifluoro-ethoxy)-nicotinamideSCHEMBL6525029

Database identifiers

PubChem CID
69812295

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
71.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
23

Related reactions

2 records
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Compound notes

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