N-[4-cyano-3-trifluoromethyl-phenyl]-2-hydroxy-3-methanesulfonyloxy-2-methyl-propionamide

HCID 12148451

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC(O)(COS(C)(=O)=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
InChIKey: RXVVINDYSQZHCQ-UHFFFAOYSA-N
Molecular formula: C13H13F3N2O5S
Average molar mass: 366.31 g/mol
Monoisotopic mass: 366.04972718

Names & identifiers

Preferred name: N-[4-cyano-3-trifluoromethyl-phenyl]-2-hydroxy-3-methanesulfonyloxy-2-methyl-propionamide
IUPAC: [3-[4-cyano-3-(trifluoromethyl)anilino]-2-hydroxy-2-methyl-3-oxopropyl] methanesulfonate

Names & synonyms

N-[4-cyano-3-trifluoromethyl-phenyl]-2-hydroxy-3-methanesulfonyloxy-2-methyl-propionamideSCHEMBL5357252n-[4-cyano-3-trifluoromethyl-phenyl]-2-hydroxy-3-(methanesulfonyloxy)-2-methyl-propionamide

Database identifiers

PubChem CID: 12148451

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 125 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 9
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 622

Related reactions

5 records

New reaction record

HRID 120705As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1269468As productuspto-grants-2007_04

HRID 1269471As reactantuspto-grants-2007_04

HRID 2138167As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2319422As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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