2,3-dibromo-N-tert-butyl-2-methylpropanamide

C8H15Br2NO — CID 162368562

IUPAC2,3-dibromo-N-tert-butyl-2-methylpropanamide
SMILESCC(C)(C)NC(=O)C(C)(Br)CBr
InChIInChI=1S/C8H15Br2NO/c1-7(2,3)11-6(12)8(4,10)5-9/h5H2,1-4H3,(H,11,12)
InChIKeyWMVLZRFSGIYLBH-UHFFFAOYSA-N
MW301.02 g/mol
LogP2.45
Rot. Bonds2

About 2,3-dibromo-N-tert-butyl-2-methylpropanamide

2,3-dibromo-N-tert-butyl-2-methylpropanamide (PubChem CID 162368562) has the molecular formula C8H15Br2NO and a molecular weight of 301.02 g/mol. Its IUPAC name is 2,3-dibromo-N-tert-butyl-2-methylpropanamide.

Molecular Properties

Compound Name2,3-dibromo-N-tert-butyl-2-methylpropanamide
PubChem CID162368562
Molecular FormulaC8H15Br2NO
Molecular Weight301.02 g/mol
Exact Mass298.95
IUPAC Name2,3-dibromo-N-tert-butyl-2-methylpropanamide
SMILESCC(C)(C)NC(=O)C(C)(Br)CBr
InChIInChI=1S/C8H15Br2NO/c1-7(2,3)11-6(12)8(4,10)5-9/h5H2,1-4H3,(H,11,12)
InChIKeyWMVLZRFSGIYLBH-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.02
LogP ≤ 52.45
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 2,3-dibromo-N-tert-butyl-2-methylpropanamide?
The IUPAC name of 2,3-dibromo-N-tert-butyl-2-methylpropanamide (CID 162368562) is 2,3-dibromo-N-tert-butyl-2-methylpropanamide.
What is the SMILES notation for 2,3-dibromo-N-tert-butyl-2-methylpropanamide?
The canonical SMILES for 2,3-dibromo-N-tert-butyl-2-methylpropanamide is CC(C)(C)NC(=O)C(C)(Br)CBr.
What is the InChIKey of 2,3-dibromo-N-tert-butyl-2-methylpropanamide?
The InChIKey is WMVLZRFSGIYLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Br2NO/c1-7(2,3)11-6(12)8(4,10)5-9/h5H2,1-4H3,(H,11,12).
What are the key properties of 2,3-dibromo-N-tert-butyl-2-methylpropanamide?
2,3-dibromo-N-tert-butyl-2-methylpropanamide has a molecular weight of 301.02 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-N-tert-butyl-2-methylpropanamide is sourced from PubChem (CID 162368562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).