2-bromo-N-hydroxybutanamide

C4H8BrNO2 — CID 63664226

IUPAC2-bromo-N-hydroxybutanamide
SMILESCCC(Br)C(=O)NO
InChIInChI=1S/C4H8BrNO2/c1-2-3(5)4(7)6-8/h3,8H,2H2,1H3,(H,6,7)
InChIKeyKJYOGBJXPQVEMK-UHFFFAOYSA-N
MW182.02 g/mol
LogP0.67
Rot. Bonds2

About 2-bromo-N-hydroxybutanamide

2-bromo-N-hydroxybutanamide (PubChem CID 63664226) has the molecular formula C4H8BrNO2 and a molecular weight of 182.02 g/mol. Its IUPAC name is 2-bromo-N-hydroxybutanamide.

Molecular Properties

Compound Name2-bromo-N-hydroxybutanamide
PubChem CID63664226
Molecular FormulaC4H8BrNO2
Molecular Weight182.02 g/mol
Exact Mass180.97
IUPAC Name2-bromo-N-hydroxybutanamide
SMILESCCC(Br)C(=O)NO
InChIInChI=1S/C4H8BrNO2/c1-2-3(5)4(7)6-8/h3,8H,2H2,1H3,(H,6,7)
InChIKeyKJYOGBJXPQVEMK-UHFFFAOYSA-N
XLogP0.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-hydroxybutanamide?
The IUPAC name of 2-bromo-N-hydroxybutanamide (CID 63664226) is 2-bromo-N-hydroxybutanamide.
What is the SMILES notation for 2-bromo-N-hydroxybutanamide?
The canonical SMILES for 2-bromo-N-hydroxybutanamide is CCC(Br)C(=O)NO.
What is the InChIKey of 2-bromo-N-hydroxybutanamide?
The InChIKey is KJYOGBJXPQVEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BrNO2/c1-2-3(5)4(7)6-8/h3,8H,2H2,1H3,(H,6,7).
What are the key properties of 2-bromo-N-hydroxybutanamide?
2-bromo-N-hydroxybutanamide has a molecular weight of 182.02 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-hydroxybutanamide is sourced from PubChem (CID 63664226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).