2-bromo-N-pentan-2-ylacetamide

C7H14BrNO — CID 54179178

IUPAC2-bromo-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CBr
InChIInChI=1S/C7H14BrNO/c1-3-4-6(2)9-7(10)5-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyPAPBELQQXACWCU-UHFFFAOYSA-N
MW208.10 g/mol
LogP1.69
Rot. Bonds4

About 2-bromo-N-pentan-2-ylacetamide

2-bromo-N-pentan-2-ylacetamide (PubChem CID 54179178) has the molecular formula C7H14BrNO and a molecular weight of 208.10 g/mol. Its IUPAC name is 2-bromo-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-bromo-N-pentan-2-ylacetamide
PubChem CID54179178
Molecular FormulaC7H14BrNO
Molecular Weight208.10 g/mol
Exact Mass207.03
IUPAC Name2-bromo-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CBr
InChIInChI=1S/C7H14BrNO/c1-3-4-6(2)9-7(10)5-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyPAPBELQQXACWCU-UHFFFAOYSA-N
XLogP1.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromopentan-2-yl)butanamide
CID 114316345
N'-pentan-2-ylpropanediamide
CID 88934201
2-bromo-N-(4,4-difluorobutan-2-yl)acetamide
CID 131206669
N-pentan-2-ylundecanamide
CID 173258559
2-bromo-N-pentan-2-ylpropanamide
CID 81222887
2-(2-methoxyethoxy)-N-pentan-2-ylacetamide
CID 103601639
2-bromo-N-(1-methylsulfonylpropan-2-yl)acetamide
CID 64630189
N-hexan-2-ylbutanamide
CID 64592038
N-pentan-2-ylcyclohexanecarboxamide
CID 19916603
N-ethyl-2-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]acetamide
CID 60695403
N-pentan-2-ylcyclopropanecarboxamide
CID 43889322
2-(3-hydroxybutylamino)-N-pentan-2-ylacetamide
CID 64911612

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-pentan-2-ylacetamide?
The IUPAC name of 2-bromo-N-pentan-2-ylacetamide (CID 54179178) is 2-bromo-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-bromo-N-pentan-2-ylacetamide?
The canonical SMILES for 2-bromo-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CBr.
What is the InChIKey of 2-bromo-N-pentan-2-ylacetamide?
The InChIKey is PAPBELQQXACWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO/c1-3-4-6(2)9-7(10)5-8/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 2-bromo-N-pentan-2-ylacetamide?
2-bromo-N-pentan-2-ylacetamide has a molecular weight of 208.10 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-pentan-2-ylacetamide is sourced from PubChem (CID 54179178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).