N-bromoacetamide

C2H4BrNO — CID 4353

IUPACN-bromoacetamide
SMILESCC(=O)NBr
InChIInChI=1S/C2H4BrNO/c1-2(5)4-3/h1H3,(H,4,5)
InChIKeyVBTQNRFWXBXZQR-UHFFFAOYSA-N
MW137.96 g/mol
LogP0.43
Rot. Bonds

About N-bromoacetamide

N-bromoacetamide (PubChem CID 4353) has the molecular formula C2H4BrNO and a molecular weight of 137.96 g/mol. Its IUPAC name is N-bromoacetamide.

Molecular Properties

Compound NameN-bromoacetamide
PubChem CID4353
Molecular FormulaC2H4BrNO
Molecular Weight137.96 g/mol
Exact Mass136.95
IUPAC NameN-bromoacetamide
SMILESCC(=O)NBr
InChIInChI=1S/C2H4BrNO/c1-2(5)4-3/h1H3,(H,4,5)
InChIKeyVBTQNRFWXBXZQR-UHFFFAOYSA-N
XLogP0.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.96
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-bromoacetamide?
The IUPAC name of N-bromoacetamide (CID 4353) is N-bromoacetamide.
What is the SMILES notation for N-bromoacetamide?
The canonical SMILES for N-bromoacetamide is CC(=O)NBr.
What is the InChIKey of N-bromoacetamide?
The InChIKey is VBTQNRFWXBXZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4BrNO/c1-2(5)4-3/h1H3,(H,4,5).
What are the key properties of N-bromoacetamide?
N-bromoacetamide has a molecular weight of 137.96 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromoacetamide is sourced from PubChem (CID 4353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).