2-bromo-N-(iodomethyl)acetamide

C3H5BrINO — CID 89129091

IUPAC2-bromo-N-(iodomethyl)acetamide
SMILESO=C(CBr)NCI
InChIInChI=1S/C3H5BrINO/c4-1-3(7)6-2-5/h1-2H2,(H,6,7)
InChIKeyDWJKLDVLELYOAC-UHFFFAOYSA-N
MW277.89 g/mol
LogP0.89
Rot. Bonds2

About 2-bromo-N-(iodomethyl)acetamide

2-bromo-N-(iodomethyl)acetamide (PubChem CID 89129091) has the molecular formula C3H5BrINO and a molecular weight of 277.89 g/mol. Its IUPAC name is 2-bromo-N-(iodomethyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(iodomethyl)acetamide
PubChem CID89129091
Molecular FormulaC3H5BrINO
Molecular Weight277.89 g/mol
Exact Mass276.86
IUPAC Name2-bromo-N-(iodomethyl)acetamide
SMILESO=C(CBr)NCI
InChIInChI=1S/C3H5BrINO/c4-1-3(7)6-2-5/h1-2H2,(H,6,7)
InChIKeyDWJKLDVLELYOAC-UHFFFAOYSA-N
XLogP0.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.89
LogP ≤ 50.89
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(iodomethyl)acetamide?
The IUPAC name of 2-bromo-N-(iodomethyl)acetamide (CID 89129091) is 2-bromo-N-(iodomethyl)acetamide.
What is the SMILES notation for 2-bromo-N-(iodomethyl)acetamide?
The canonical SMILES for 2-bromo-N-(iodomethyl)acetamide is O=C(CBr)NCI.
What is the InChIKey of 2-bromo-N-(iodomethyl)acetamide?
The InChIKey is DWJKLDVLELYOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BrINO/c4-1-3(7)6-2-5/h1-2H2,(H,6,7).
What are the key properties of 2-bromo-N-(iodomethyl)acetamide?
2-bromo-N-(iodomethyl)acetamide has a molecular weight of 277.89 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(iodomethyl)acetamide is sourced from PubChem (CID 89129091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).