2-bromo-N-butan-2-yl-3-methylbutanamide

C9H18BrNO — CID 24692066

IUPAC2-bromo-N-butan-2-yl-3-methylbutanamide
SMILESCCC(C)NC(=O)C(Br)C(C)C
InChIInChI=1S/C9H18BrNO/c1-5-7(4)11-9(12)8(10)6(2)3/h6-8H,5H2,1-4H3,(H,11,12)
InChIKeyFOIQOQJYXJRHIR-UHFFFAOYSA-N
MW236.15 g/mol
LogP2.32
Rot. Bonds4

About 2-bromo-N-butan-2-yl-3-methylbutanamide

2-bromo-N-butan-2-yl-3-methylbutanamide (PubChem CID 24692066) has the molecular formula C9H18BrNO and a molecular weight of 236.15 g/mol. Its IUPAC name is 2-bromo-N-butan-2-yl-3-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N-butan-2-yl-3-methylbutanamide
PubChem CID24692066
Molecular FormulaC9H18BrNO
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC Name2-bromo-N-butan-2-yl-3-methylbutanamide
SMILESCCC(C)NC(=O)C(Br)C(C)C
InChIInChI=1S/C9H18BrNO/c1-5-7(4)11-9(12)8(10)6(2)3/h6-8H,5H2,1-4H3,(H,11,12)
InChIKeyFOIQOQJYXJRHIR-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-N-butan-2-yl-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-butan-2-yl-3-methylbutanamide?
The IUPAC name of 2-bromo-N-butan-2-yl-3-methylbutanamide (CID 24692066) is 2-bromo-N-butan-2-yl-3-methylbutanamide.
What is the SMILES notation for 2-bromo-N-butan-2-yl-3-methylbutanamide?
The canonical SMILES for 2-bromo-N-butan-2-yl-3-methylbutanamide is CCC(C)NC(=O)C(Br)C(C)C.
What is the InChIKey of 2-bromo-N-butan-2-yl-3-methylbutanamide?
The InChIKey is FOIQOQJYXJRHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO/c1-5-7(4)11-9(12)8(10)6(2)3/h6-8H,5H2,1-4H3,(H,11,12).
What are the key properties of 2-bromo-N-butan-2-yl-3-methylbutanamide?
2-bromo-N-butan-2-yl-3-methylbutanamide has a molecular weight of 236.15 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-butan-2-yl-3-methylbutanamide is sourced from PubChem (CID 24692066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).