2,3-dibromo-N,N-dimethylpropanamide

C5H9Br2NO — CID 11299911

IUPAC2,3-dibromo-N,N-dimethylpropanamide
SMILESCN(C)C(=O)C(Br)CBr
InChIInChI=1S/C5H9Br2NO/c1-8(2)5(9)4(7)3-6/h4H,3H2,1-2H3
InChIKeyNGLXUWPQWYFICX-UHFFFAOYSA-N
MW258.94 g/mol
LogP1.23
Rot. Bonds2

About 2,3-dibromo-N,N-dimethylpropanamide

2,3-dibromo-N,N-dimethylpropanamide (PubChem CID 11299911) has the molecular formula C5H9Br2NO and a molecular weight of 258.94 g/mol. Its IUPAC name is 2,3-dibromo-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2,3-dibromo-N,N-dimethylpropanamide
PubChem CID11299911
Molecular FormulaC5H9Br2NO
Molecular Weight258.94 g/mol
Exact Mass256.91
IUPAC Name2,3-dibromo-N,N-dimethylpropanamide
SMILESCN(C)C(=O)C(Br)CBr
InChIInChI=1S/C5H9Br2NO/c1-8(2)5(9)4(7)3-6/h4H,3H2,1-2H3
InChIKeyNGLXUWPQWYFICX-UHFFFAOYSA-N
XLogP1.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.94
LogP ≤ 51.23
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 2,3-dibromo-N,N-dimethylpropanamide?
The IUPAC name of 2,3-dibromo-N,N-dimethylpropanamide (CID 11299911) is 2,3-dibromo-N,N-dimethylpropanamide.
What is the SMILES notation for 2,3-dibromo-N,N-dimethylpropanamide?
The canonical SMILES for 2,3-dibromo-N,N-dimethylpropanamide is CN(C)C(=O)C(Br)CBr.
What is the InChIKey of 2,3-dibromo-N,N-dimethylpropanamide?
The InChIKey is NGLXUWPQWYFICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Br2NO/c1-8(2)5(9)4(7)3-6/h4H,3H2,1-2H3.
What are the key properties of 2,3-dibromo-N,N-dimethylpropanamide?
2,3-dibromo-N,N-dimethylpropanamide has a molecular weight of 258.94 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-N,N-dimethylpropanamide is sourced from PubChem (CID 11299911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).