N-iodo-2-methoxyacetamide

C3H6INO2 — CID 54552462

IUPACN-iodo-2-methoxyacetamide
SMILESCOCC(=O)NI
InChIInChI=1S/C3H6INO2/c1-7-2-3(6)5-4/h2H2,1H3,(H,5,6)
InChIKeyZKVWRRMURBJYKL-UHFFFAOYSA-N
MW214.99 g/mol
LogP0.10
Rot. Bonds2

About N-iodo-2-methoxyacetamide

N-iodo-2-methoxyacetamide (PubChem CID 54552462) has the molecular formula C3H6INO2 and a molecular weight of 214.99 g/mol. Its IUPAC name is N-iodo-2-methoxyacetamide.

Molecular Properties

Compound NameN-iodo-2-methoxyacetamide
PubChem CID54552462
Molecular FormulaC3H6INO2
Molecular Weight214.99 g/mol
Exact Mass214.94
IUPAC NameN-iodo-2-methoxyacetamide
SMILESCOCC(=O)NI
InChIInChI=1S/C3H6INO2/c1-7-2-3(6)5-4/h2H2,1H3,(H,5,6)
InChIKeyZKVWRRMURBJYKL-UHFFFAOYSA-N
XLogP0.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.99
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-iodo-2-methoxyacetamide?
The IUPAC name of N-iodo-2-methoxyacetamide (CID 54552462) is N-iodo-2-methoxyacetamide.
What is the SMILES notation for N-iodo-2-methoxyacetamide?
The canonical SMILES for N-iodo-2-methoxyacetamide is COCC(=O)NI.
What is the InChIKey of N-iodo-2-methoxyacetamide?
The InChIKey is ZKVWRRMURBJYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6INO2/c1-7-2-3(6)5-4/h2H2,1H3,(H,5,6).
What are the key properties of N-iodo-2-methoxyacetamide?
N-iodo-2-methoxyacetamide has a molecular weight of 214.99 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-2-methoxyacetamide is sourced from PubChem (CID 54552462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).