Acetamide, 2-iodo-N-(2-(2-pyridyl)ethyl)-, monohydrate

HCID 52054

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Basic information

CAS: 73664-47-8
Standard SMILES: O.O=C(CI)NCCc1ccccn1
InChIKey: HSFGRSOQKHBNML-UHFFFAOYSA-N
Molecular formula: C9H13IN2O2
Average molar mass: 308.12 g/mol
Monoisotopic mass: 308.00218

Names & identifiers

Preferred name: Acetamide, 2-iodo-N-(2-(2-pyridyl)ethyl)-, monohydrate
IUPAC: 2-iodo-N-(2-pyridin-2-ylethyl)acetamide;hydrate

Names & synonyms

73664-47-8ACETAMIDE, 2-IODO-N-(2-(2-PYRIDYL)ETHYL)-, MONOHYDRATE2-Iodo-N-(2-(2-pyridyl)ethyl)acetamide monohydrate2-(2-(alpha-Iodoacetamido)ethyl)pyridine monohydrateDTXSID00223898RefChem:314747DTXCID301463892-Iodo-N-[2-(pyridin-2-yl)ethyl]acetamide--water (1/1)

Database identifiers

CAS: 73664-47-8
PubChem CID: 52054
DTXSID: DTXSID00223898

Properties

Computed structural properties

Topological polar surface area: 43 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 164

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