2-bromo-N-cyclopentyl-3-methylbutanamide

C10H18BrNO — CID 24691712

IUPAC2-bromo-N-cyclopentyl-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)NC1CCCC1
InChIInChI=1S/C10H18BrNO/c1-7(2)9(11)10(13)12-8-5-3-4-6-8/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyWJGPMEBCUHKVLX-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.46
Rot. Bonds3

About 2-bromo-N-cyclopentyl-3-methylbutanamide

2-bromo-N-cyclopentyl-3-methylbutanamide (PubChem CID 24691712) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is 2-bromo-N-cyclopentyl-3-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N-cyclopentyl-3-methylbutanamide
PubChem CID24691712
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name2-bromo-N-cyclopentyl-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)NC1CCCC1
InChIInChI=1S/C10H18BrNO/c1-7(2)9(11)10(13)12-8-5-3-4-6-8/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyWJGPMEBCUHKVLX-UHFFFAOYSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.46
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-bromo-N-cyclopentyl-3-methylbutanamide?
The IUPAC name of 2-bromo-N-cyclopentyl-3-methylbutanamide (CID 24691712) is 2-bromo-N-cyclopentyl-3-methylbutanamide.
What is the SMILES notation for 2-bromo-N-cyclopentyl-3-methylbutanamide?
The canonical SMILES for 2-bromo-N-cyclopentyl-3-methylbutanamide is CC(C)C(Br)C(=O)NC1CCCC1.
What is the InChIKey of 2-bromo-N-cyclopentyl-3-methylbutanamide?
The InChIKey is WJGPMEBCUHKVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-7(2)9(11)10(13)12-8-5-3-4-6-8/h7-9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-bromo-N-cyclopentyl-3-methylbutanamide?
2-bromo-N-cyclopentyl-3-methylbutanamide has a molecular weight of 248.16 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopentyl-3-methylbutanamide is sourced from PubChem (CID 24691712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).