3-chloro-N-hydroxy-2,2-dimethyl-N-phenylpropanamide

HCID 13192516

Notes Reactions

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Basic information

CAS: 81777-73-3
Standard SMILES: CC(C)(CCl)C(=O)N(O)c1ccccc1
InChIKey: TVIRPTGZIJUNGS-UHFFFAOYSA-N
Molecular formula: C11H14ClNO2
Average molar mass: 227.69 g/mol
Monoisotopic mass: 227.0713064

Names & identifiers

Preferred name: 3-chloro-N-hydroxy-2,2-dimethyl-N-phenylpropanamide
IUPAC: 3-chloro-N-hydroxy-2,2-dimethyl-N-phenylpropanamide

Names & synonyms

3-chloro-N-hydroxy-2,2-dimethyl-N-phenylpropanamide81777-73-3SCHEMBL7609218DTXSID60526115TVIRPTGZIJUNGS-UHFFFAOYSA-N3-chloro-N-hydroxy-N-phenyl-2,2-dimethylpropanamide

Database identifiers

CAS: 81777-73-3
PubChem CID: 13192516
DTXSID: DTXSID60526115
Nikkaji: J715.567K

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 225

Related reactions

2 records

New reaction record

HRID 672591As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1995480As productuspto-grants-1983_09

Compound notes

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