2,4-dibromo-N-methoxybutanamide

C5H9Br2NO2 — CID 14370687

IUPAC2,4-dibromo-N-methoxybutanamide
SMILESCONC(=O)C(Br)CCBr
InChIInChI=1S/C5H9Br2NO2/c1-10-8-5(9)4(7)2-3-6/h4H,2-3H2,1H3,(H,8,9)
InChIKeyDKKBXCWWCINKIW-UHFFFAOYSA-N
MW274.94 g/mol
LogP1.21
Rot. Bonds4

About 2,4-dibromo-N-methoxybutanamide

2,4-dibromo-N-methoxybutanamide (PubChem CID 14370687) has the molecular formula C5H9Br2NO2 and a molecular weight of 274.94 g/mol. Its IUPAC name is 2,4-dibromo-N-methoxybutanamide.

Molecular Properties

Compound Name2,4-dibromo-N-methoxybutanamide
PubChem CID14370687
Molecular FormulaC5H9Br2NO2
Molecular Weight274.94 g/mol
Exact Mass272.90
IUPAC Name2,4-dibromo-N-methoxybutanamide
SMILESCONC(=O)C(Br)CCBr
InChIInChI=1S/C5H9Br2NO2/c1-10-8-5(9)4(7)2-3-6/h4H,2-3H2,1H3,(H,8,9)
InChIKeyDKKBXCWWCINKIW-UHFFFAOYSA-N
XLogP1.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.94
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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 2,4-dibromo-N-methoxybutanamide?
The IUPAC name of 2,4-dibromo-N-methoxybutanamide (CID 14370687) is 2,4-dibromo-N-methoxybutanamide.
What is the SMILES notation for 2,4-dibromo-N-methoxybutanamide?
The canonical SMILES for 2,4-dibromo-N-methoxybutanamide is CONC(=O)C(Br)CCBr.
What is the InChIKey of 2,4-dibromo-N-methoxybutanamide?
The InChIKey is DKKBXCWWCINKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Br2NO2/c1-10-8-5(9)4(7)2-3-6/h4H,2-3H2,1H3,(H,8,9).
What are the key properties of 2,4-dibromo-N-methoxybutanamide?
2,4-dibromo-N-methoxybutanamide has a molecular weight of 274.94 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-methoxybutanamide is sourced from PubChem (CID 14370687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).