2-bromo-2-fluoro-N-(1-phenylethyl)acetamide

C10H11BrFNO — CID 15628417

IUPAC2-bromo-2-fluoro-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)C(F)Br)c1ccccc1
InChIInChI=1S/C10H11BrFNO/c1-7(13-10(14)9(11)12)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,13,14)
InChIKeyOWMJHDDMLQIPAS-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.55
Rot. Bonds3

About 2-bromo-2-fluoro-N-(1-phenylethyl)acetamide

2-bromo-2-fluoro-N-(1-phenylethyl)acetamide (PubChem CID 15628417) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is 2-bromo-2-fluoro-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-bromo-2-fluoro-N-(1-phenylethyl)acetamide
PubChem CID15628417
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name2-bromo-2-fluoro-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)C(F)Br)c1ccccc1
InChIInChI=1S/C10H11BrFNO/c1-7(13-10(14)9(11)12)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,13,14)
InChIKeyOWMJHDDMLQIPAS-UHFFFAOYSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.55
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-2-fluoro-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-bromo-2-fluoro-N-(1-phenylethyl)acetamide (CID 15628417) is 2-bromo-2-fluoro-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-bromo-2-fluoro-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-bromo-2-fluoro-N-(1-phenylethyl)acetamide is CC(NC(=O)C(F)Br)c1ccccc1.
What is the InChIKey of 2-bromo-2-fluoro-N-(1-phenylethyl)acetamide?
The InChIKey is OWMJHDDMLQIPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c1-7(13-10(14)9(11)12)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,13,14).
What are the key properties of 2-bromo-2-fluoro-N-(1-phenylethyl)acetamide?
2-bromo-2-fluoro-N-(1-phenylethyl)acetamide has a molecular weight of 260.11 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-fluoro-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 15628417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).