4-bromo-2-methylbutanamide

C5H10BrNO — CID 57350656

IUPAC4-bromo-2-methylbutanamide
SMILESCC(CCBr)C(N)=O
InChIInChI=1S/C5H10BrNO/c1-4(2-3-6)5(7)8/h4H,2-3H2,1H3,(H2,7,8)
InChIKeyJAMKBIXHDAXAHH-UHFFFAOYSA-N
MW180.04 g/mol
LogP0.89
Rot. Bonds3

About 4-bromo-2-methylbutanamide

4-bromo-2-methylbutanamide (PubChem CID 57350656) has the molecular formula C5H10BrNO and a molecular weight of 180.04 g/mol. Its IUPAC name is 4-bromo-2-methylbutanamide.

Molecular Properties

Compound Name4-bromo-2-methylbutanamide
PubChem CID57350656
Molecular FormulaC5H10BrNO
Molecular Weight180.04 g/mol
Exact Mass178.99
IUPAC Name4-bromo-2-methylbutanamide
SMILESCC(CCBr)C(N)=O
InChIInChI=1S/C5H10BrNO/c1-4(2-3-6)5(7)8/h4H,2-3H2,1H3,(H2,7,8)
InChIKeyJAMKBIXHDAXAHH-UHFFFAOYSA-N
XLogP0.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.04
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methylbutanamide?
The IUPAC name of 4-bromo-2-methylbutanamide (CID 57350656) is 4-bromo-2-methylbutanamide.
What is the SMILES notation for 4-bromo-2-methylbutanamide?
The canonical SMILES for 4-bromo-2-methylbutanamide is CC(CCBr)C(N)=O.
What is the InChIKey of 4-bromo-2-methylbutanamide?
The InChIKey is JAMKBIXHDAXAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrNO/c1-4(2-3-6)5(7)8/h4H,2-3H2,1H3,(H2,7,8).
What are the key properties of 4-bromo-2-methylbutanamide?
4-bromo-2-methylbutanamide has a molecular weight of 180.04 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methylbutanamide is sourced from PubChem (CID 57350656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).