Acetanilide, 3'-chloro-2-((3-methoxypropyl)amino)-, hydrochloride

HCID 60259

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Basic information

CAS: 108631-19-2
Standard SMILES: COCCC[NH2+]CC(=O)Nc1cccc(Cl)c1.[Cl-]
InChIKey: STHQRDSGIWCPPH-UHFFFAOYSA-N
Molecular formula: C12H18Cl2N2O2
Average molar mass: 293.19 g/mol
Monoisotopic mass: 292.0745332

Names & identifiers

Preferred name: Acetanilide, 3'-chloro-2-((3-methoxypropyl)amino)-, hydrochloride
IUPAC: [2-(3-chloroanilino)-2-oxoethyl]-(3-methoxypropyl)azanium chloride

Names & synonyms

3'-Chloro-2-((3-methoxypropyl)amino)acetanilide hydrochloride108631-19-2ACETANILIDE, 3'-CHLORO-2-((3-METHOXYPROPYL)AMINO)-, HYDROCHLORIDERefChem:315775

Database identifiers

CAS: 108631-19-2
PubChem CID: 60259

Properties

Computed structural properties

Topological polar surface area: 54.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 18
Formal charge: 0
Complexity: 227

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