2-bromo-N-ethyl-N-methylacetamide

C5H10BrNO — CID 56604810

IUPAC2-bromo-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CBr
InChIInChI=1S/C5H10BrNO/c1-3-7(2)5(8)4-6/h3-4H2,1-2H3
InChIKeyTUGWYSNVIJREEF-UHFFFAOYSA-N
MW180.04 g/mol
LogP0.86
Rot. Bonds2

About 2-bromo-N-ethyl-N-methylacetamide

2-bromo-N-ethyl-N-methylacetamide (PubChem CID 56604810) has the molecular formula C5H10BrNO and a molecular weight of 180.04 g/mol. Its IUPAC name is 2-bromo-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-N-methylacetamide
PubChem CID56604810
Molecular FormulaC5H10BrNO
Molecular Weight180.04 g/mol
Exact Mass178.99
IUPAC Name2-bromo-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CBr
InChIInChI=1S/C5H10BrNO/c1-3-7(2)5(8)4-6/h3-4H2,1-2H3
InChIKeyTUGWYSNVIJREEF-UHFFFAOYSA-N
XLogP0.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.04
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-N-ethyl-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-ethyl-N-methylacetamide?
The IUPAC name of 2-bromo-N-ethyl-N-methylacetamide (CID 56604810) is 2-bromo-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-bromo-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-bromo-N-ethyl-N-methylacetamide is CCN(C)C(=O)CBr.
What is the InChIKey of 2-bromo-N-ethyl-N-methylacetamide?
The InChIKey is TUGWYSNVIJREEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrNO/c1-3-7(2)5(8)4-6/h3-4H2,1-2H3.
What are the key properties of 2-bromo-N-ethyl-N-methylacetamide?
2-bromo-N-ethyl-N-methylacetamide has a molecular weight of 180.04 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-N-methylacetamide is sourced from PubChem (CID 56604810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).