2-bromo-N-methylacetamide

C3H6BrNO — CID 15490745

IUPAC2-bromo-N-methylacetamide
SMILESCNC(=O)CBr
InChIInChI=1S/C3H6BrNO/c1-5-3(6)2-4/h2H2,1H3,(H,5,6)
InChIKeyLBVZINOLAFTARU-UHFFFAOYSA-N
MW151.99 g/mol
LogP0.13
Rot. Bonds1

About 2-bromo-N-methylacetamide

2-bromo-N-methylacetamide (PubChem CID 15490745) has the molecular formula C3H6BrNO and a molecular weight of 151.99 g/mol. Its IUPAC name is 2-bromo-N-methylacetamide.

Molecular Properties

Compound Name2-bromo-N-methylacetamide
PubChem CID15490745
Molecular FormulaC3H6BrNO
Molecular Weight151.99 g/mol
Exact Mass150.96
IUPAC Name2-bromo-N-methylacetamide
SMILESCNC(=O)CBr
InChIInChI=1S/C3H6BrNO/c1-5-3(6)2-4/h2H2,1H3,(H,5,6)
InChIKeyLBVZINOLAFTARU-UHFFFAOYSA-N
XLogP0.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.99
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methylacetamide?
The IUPAC name of 2-bromo-N-methylacetamide (CID 15490745) is 2-bromo-N-methylacetamide.
What is the SMILES notation for 2-bromo-N-methylacetamide?
The canonical SMILES for 2-bromo-N-methylacetamide is CNC(=O)CBr.
What is the InChIKey of 2-bromo-N-methylacetamide?
The InChIKey is LBVZINOLAFTARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6BrNO/c1-5-3(6)2-4/h2H2,1H3,(H,5,6).
What are the key properties of 2-bromo-N-methylacetamide?
2-bromo-N-methylacetamide has a molecular weight of 151.99 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methylacetamide is sourced from PubChem (CID 15490745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).