4-bromo-N-tert-butylbutanamide

C8H16BrNO — CID 141342782

IUPAC4-bromo-N-tert-butylbutanamide
SMILESCC(C)(C)NC(=O)CCCBr
InChIInChI=1S/C8H16BrNO/c1-8(2,3)10-7(11)5-4-6-9/h4-6H2,1-3H3,(H,10,11)
InChIKeyDZHYODCBLTZVFT-UHFFFAOYSA-N
MW222.13 g/mol
LogP2.08
Rot. Bonds3

About 4-bromo-N-tert-butylbutanamide

4-bromo-N-tert-butylbutanamide (PubChem CID 141342782) has the molecular formula C8H16BrNO and a molecular weight of 222.13 g/mol. Its IUPAC name is 4-bromo-N-tert-butylbutanamide.

Molecular Properties

Compound Name4-bromo-N-tert-butylbutanamide
PubChem CID141342782
Molecular FormulaC8H16BrNO
Molecular Weight222.13 g/mol
Exact Mass221.04
IUPAC Name4-bromo-N-tert-butylbutanamide
SMILESCC(C)(C)NC(=O)CCCBr
InChIInChI=1S/C8H16BrNO/c1-8(2,3)10-7(11)5-4-6-9/h4-6H2,1-3H3,(H,10,11)
InChIKeyDZHYODCBLTZVFT-UHFFFAOYSA-N
XLogP2.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 52.08
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-tert-butylbutanamide
CID 221967
Propanamide, 2-bromo-N-(1,1-dimethylethyl)-2-methyl-
CID 10878723
2,3-dibromo-N-(t-butyl)-2-methylpropanamide
CID 162368562
N-(5-bromo-2-methylpentan-2-yl)acetamide
CID 176435293
N-(1,3-dibromo-2-methylpropan-2-yl)-4,4,4-trifluorobutanamide
CID 81968074
N-(1-bromo-3-methylpentan-3-yl)-4,4,4-trifluorobutanamide
CID 106169663
N-(1-bromo-2-methylpropan-2-yl)-4,4,4-trifluorobutanamide
CID 114308071
N-(1-bromo-2-methylbutan-2-yl)-4,4,4-trifluorobutanamide
CID 114314459
N-[3-(bromomethyl)pentan-3-yl]-4,4,4-trifluorobutanamide
CID 114315279
N-(4-bromo-2-methylbutan-2-yl)-4,4,4-trifluorobutanamide
CID 116345706
N-(3-bromo-2-methylbutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide
CID 130986115
2-bromo-N-tert-butyl-3,3-dimethylbutanamide
CID 2795136

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-tert-butylbutanamide?
The IUPAC name of 4-bromo-N-tert-butylbutanamide (CID 141342782) is 4-bromo-N-tert-butylbutanamide.
What is the SMILES notation for 4-bromo-N-tert-butylbutanamide?
The canonical SMILES for 4-bromo-N-tert-butylbutanamide is CC(C)(C)NC(=O)CCCBr.
What is the InChIKey of 4-bromo-N-tert-butylbutanamide?
The InChIKey is DZHYODCBLTZVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO/c1-8(2,3)10-7(11)5-4-6-9/h4-6H2,1-3H3,(H,10,11).
What are the key properties of 4-bromo-N-tert-butylbutanamide?
4-bromo-N-tert-butylbutanamide has a molecular weight of 222.13 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-tert-butylbutanamide is sourced from PubChem (CID 141342782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).