2,4-dibromo-N,N-dimethylbutanamide

C6H11Br2NO — CID 14442300

IUPAC2,4-dibromo-N,N-dimethylbutanamide
SMILESCN(C)C(=O)C(Br)CCBr
InChIInChI=1S/C6H11Br2NO/c1-9(2)6(10)5(8)3-4-7/h5H,3-4H2,1-2H3
InChIKeyOLAFANQNMCIMQI-UHFFFAOYSA-N
MW272.97 g/mol
LogP1.62
Rot. Bonds3

About 2,4-dibromo-N,N-dimethylbutanamide

2,4-dibromo-N,N-dimethylbutanamide (PubChem CID 14442300) has the molecular formula C6H11Br2NO and a molecular weight of 272.97 g/mol. Its IUPAC name is 2,4-dibromo-N,N-dimethylbutanamide.

Molecular Properties

Compound Name2,4-dibromo-N,N-dimethylbutanamide
PubChem CID14442300
Molecular FormulaC6H11Br2NO
Molecular Weight272.97 g/mol
Exact Mass270.92
IUPAC Name2,4-dibromo-N,N-dimethylbutanamide
SMILESCN(C)C(=O)C(Br)CCBr
InChIInChI=1S/C6H11Br2NO/c1-9(2)6(10)5(8)3-4-7/h5H,3-4H2,1-2H3
InChIKeyOLAFANQNMCIMQI-UHFFFAOYSA-N
XLogP1.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.97
LogP ≤ 51.62
H-Bond Donors ≤ 50
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 2,4-dibromo-N,N-dimethylbutanamide?
The IUPAC name of 2,4-dibromo-N,N-dimethylbutanamide (CID 14442300) is 2,4-dibromo-N,N-dimethylbutanamide.
What is the SMILES notation for 2,4-dibromo-N,N-dimethylbutanamide?
The canonical SMILES for 2,4-dibromo-N,N-dimethylbutanamide is CN(C)C(=O)C(Br)CCBr.
What is the InChIKey of 2,4-dibromo-N,N-dimethylbutanamide?
The InChIKey is OLAFANQNMCIMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Br2NO/c1-9(2)6(10)5(8)3-4-7/h5H,3-4H2,1-2H3.
What are the key properties of 2,4-dibromo-N,N-dimethylbutanamide?
2,4-dibromo-N,N-dimethylbutanamide has a molecular weight of 272.97 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N,N-dimethylbutanamide is sourced from PubChem (CID 14442300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).