2-bromo-N-(3-methylbutyl)acetamide

C7H14BrNO — CID 23368636

IUPAC2-bromo-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CBr
InChIInChI=1S/C7H14BrNO/c1-6(2)3-4-9-7(10)5-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyHSFWFNUAKKZHOW-UHFFFAOYSA-N
MW208.10 g/mol
LogP1.54
Rot. Bonds4

About 2-bromo-N-(3-methylbutyl)acetamide

2-bromo-N-(3-methylbutyl)acetamide (PubChem CID 23368636) has the molecular formula C7H14BrNO and a molecular weight of 208.10 g/mol. Its IUPAC name is 2-bromo-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(3-methylbutyl)acetamide
PubChem CID23368636
Molecular FormulaC7H14BrNO
Molecular Weight208.10 g/mol
Exact Mass207.03
IUPAC Name2-bromo-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CBr
InChIInChI=1S/C7H14BrNO/c1-6(2)3-4-9-7(10)5-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyHSFWFNUAKKZHOW-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
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-(3-methylbutyl)acetamide?
The IUPAC name of 2-bromo-N-(3-methylbutyl)acetamide (CID 23368636) is 2-bromo-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-bromo-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-bromo-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CBr.
What is the InChIKey of 2-bromo-N-(3-methylbutyl)acetamide?
The InChIKey is HSFWFNUAKKZHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO/c1-6(2)3-4-9-7(10)5-8/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 2-bromo-N-(3-methylbutyl)acetamide?
2-bromo-N-(3-methylbutyl)acetamide has a molecular weight of 208.10 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 23368636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).