2-bromo-N-hydroxy-2-methylpropanamide

C4H8BrNO2 — CID 89177142

IUPAC2-bromo-N-hydroxy-2-methylpropanamide
SMILESCC(C)(Br)C(=O)NO
InChIInChI=1S/C4H8BrNO2/c1-4(2,5)3(7)6-8/h8H,1-2H3,(H,6,7)
InChIKeySKZZSGHGBDUOLJ-UHFFFAOYSA-N
MW182.02 g/mol
LogP0.67
Rot. Bonds1

About 2-bromo-N-hydroxy-2-methylpropanamide

2-bromo-N-hydroxy-2-methylpropanamide (PubChem CID 89177142) has the molecular formula C4H8BrNO2 and a molecular weight of 182.02 g/mol. Its IUPAC name is 2-bromo-N-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-hydroxy-2-methylpropanamide
PubChem CID89177142
Molecular FormulaC4H8BrNO2
Molecular Weight182.02 g/mol
Exact Mass180.97
IUPAC Name2-bromo-N-hydroxy-2-methylpropanamide
SMILESCC(C)(Br)C(=O)NO
InChIInChI=1S/C4H8BrNO2/c1-4(2,5)3(7)6-8/h8H,1-2H3,(H,6,7)
InChIKeySKZZSGHGBDUOLJ-UHFFFAOYSA-N
XLogP0.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.02
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-bromo-N-hydroxy-2-methylpropanamide 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-hydroxy-2-methylpropanamide?
The IUPAC name of 2-bromo-N-hydroxy-2-methylpropanamide (CID 89177142) is 2-bromo-N-hydroxy-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-hydroxy-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-hydroxy-2-methylpropanamide is CC(C)(Br)C(=O)NO.
What is the InChIKey of 2-bromo-N-hydroxy-2-methylpropanamide?
The InChIKey is SKZZSGHGBDUOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BrNO2/c1-4(2,5)3(7)6-8/h8H,1-2H3,(H,6,7).
What are the key properties of 2-bromo-N-hydroxy-2-methylpropanamide?
2-bromo-N-hydroxy-2-methylpropanamide has a molecular weight of 182.02 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-hydroxy-2-methylpropanamide is sourced from PubChem (CID 89177142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).