2,4-dibromo-N-ethoxybutanamide

C6H11Br2NO2 — CID 86632273

IUPAC2,4-dibromo-N-ethoxybutanamide
SMILESCCONC(=O)C(Br)CCBr
InChIInChI=1S/C6H11Br2NO2/c1-2-11-9-6(10)5(8)3-4-7/h5H,2-4H2,1H3,(H,9,10)
InChIKeyHLZZZJUGGHOMKQ-UHFFFAOYSA-N
MW288.97 g/mol
LogP1.60
Rot. Bonds5

About 2,4-dibromo-N-ethoxybutanamide

2,4-dibromo-N-ethoxybutanamide (PubChem CID 86632273) has the molecular formula C6H11Br2NO2 and a molecular weight of 288.97 g/mol. Its IUPAC name is 2,4-dibromo-N-ethoxybutanamide.

Molecular Properties

Compound Name2,4-dibromo-N-ethoxybutanamide
PubChem CID86632273
Molecular FormulaC6H11Br2NO2
Molecular Weight288.97 g/mol
Exact Mass286.92
IUPAC Name2,4-dibromo-N-ethoxybutanamide
SMILESCCONC(=O)C(Br)CCBr
InChIInChI=1S/C6H11Br2NO2/c1-2-11-9-6(10)5(8)3-4-7/h5H,2-4H2,1H3,(H,9,10)
InChIKeyHLZZZJUGGHOMKQ-UHFFFAOYSA-N
XLogP1.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.97
LogP ≤ 51.60
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-ethoxybutanamide?
The IUPAC name of 2,4-dibromo-N-ethoxybutanamide (CID 86632273) is 2,4-dibromo-N-ethoxybutanamide.
What is the SMILES notation for 2,4-dibromo-N-ethoxybutanamide?
The canonical SMILES for 2,4-dibromo-N-ethoxybutanamide is CCONC(=O)C(Br)CCBr.
What is the InChIKey of 2,4-dibromo-N-ethoxybutanamide?
The InChIKey is HLZZZJUGGHOMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Br2NO2/c1-2-11-9-6(10)5(8)3-4-7/h5H,2-4H2,1H3,(H,9,10).
What are the key properties of 2,4-dibromo-N-ethoxybutanamide?
2,4-dibromo-N-ethoxybutanamide has a molecular weight of 288.97 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-ethoxybutanamide is sourced from PubChem (CID 86632273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).