2-iodoacetamide;hydroiodide

C2H5I2NO — CID 172817910

IUPAC2-iodoacetamide;hydroiodide
SMILESI.NC(=O)CI
InChIInChI=1S/C2H4INO.HI/c3-1-2(4)5;/h1H2,(H2,4,5);1H
InChIKeyTUZHUNFLKOYDKO-UHFFFAOYSA-N
MW312.88 g/mol
LogP0.52
Rot. Bonds1

About 2-iodoacetamide;hydroiodide

2-iodoacetamide;hydroiodide (PubChem CID 172817910) has the molecular formula C2H5I2NO and a molecular weight of 312.88 g/mol. Its IUPAC name is 2-iodoacetamide;hydroiodide.

Molecular Properties

Compound Name2-iodoacetamide;hydroiodide
PubChem CID172817910
Molecular FormulaC2H5I2NO
Molecular Weight312.88 g/mol
Exact Mass312.85
IUPAC Name2-iodoacetamide;hydroiodide
SMILESI.NC(=O)CI
InChIInChI=1S/C2H4INO.HI/c3-1-2(4)5;/h1H2,(H2,4,5);1H
InChIKeyTUZHUNFLKOYDKO-UHFFFAOYSA-N
XLogP0.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.88
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodoacetamide;hydroiodide?
The IUPAC name of 2-iodoacetamide;hydroiodide (CID 172817910) is 2-iodoacetamide;hydroiodide.
What is the SMILES notation for 2-iodoacetamide;hydroiodide?
The canonical SMILES for 2-iodoacetamide;hydroiodide is I.NC(=O)CI.
What is the InChIKey of 2-iodoacetamide;hydroiodide?
The InChIKey is TUZHUNFLKOYDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4INO.HI/c3-1-2(4)5;/h1H2,(H2,4,5);1H.
What are the key properties of 2-iodoacetamide;hydroiodide?
2-iodoacetamide;hydroiodide has a molecular weight of 312.88 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodoacetamide;hydroiodide is sourced from PubChem (CID 172817910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).