2-bromo-N-(thiophen-2-ylmethyl)acetamide

C7H8BrNOS — CID 16641278

IUPAC2-bromo-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CBr)NCc1cccs1
InChIInChI=1S/C7H8BrNOS/c8-4-7(10)9-5-6-2-1-3-11-6/h1-3H,4-5H2,(H,9,10)
InChIKeyXFGFQNGEXUDOOD-UHFFFAOYSA-N
MW234.12 g/mol
LogP1.76
Rot. Bonds3

About 2-bromo-N-(thiophen-2-ylmethyl)acetamide

2-bromo-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 16641278) has the molecular formula C7H8BrNOS and a molecular weight of 234.12 g/mol. Its IUPAC name is 2-bromo-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(thiophen-2-ylmethyl)acetamide
PubChem CID16641278
Molecular FormulaC7H8BrNOS
Molecular Weight234.12 g/mol
Exact Mass232.95
IUPAC Name2-bromo-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CBr)NCc1cccs1
InChIInChI=1S/C7H8BrNOS/c8-4-7(10)9-5-6-2-1-3-11-6/h1-3H,4-5H2,(H,9,10)
InChIKeyXFGFQNGEXUDOOD-UHFFFAOYSA-N
XLogP1.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.12
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-bromo-N-(thiophen-2-ylmethyl)acetamide (CID 16641278) is 2-bromo-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-bromo-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-bromo-N-(thiophen-2-ylmethyl)acetamide is O=C(CBr)NCc1cccs1.
What is the InChIKey of 2-bromo-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is XFGFQNGEXUDOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNOS/c8-4-7(10)9-5-6-2-1-3-11-6/h1-3H,4-5H2,(H,9,10).
What are the key properties of 2-bromo-N-(thiophen-2-ylmethyl)acetamide?
2-bromo-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 234.12 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 16641278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).