N-(4-bromo-2-fluorophenyl)-2-oxo-2-piperidin-1-ylacetamide

C13H14BrFN2O2 — CID 2951182

IUPACN-(4-bromo-2-fluorophenyl)-2-oxo-2-piperidin-1-ylacetamide
SMILESO=C(Nc1ccc(Br)cc1F)C(=O)N1CCCCC1
InChIInChI=1S/C13H14BrFN2O2/c14-9-4-5-11(10(15)8-9)16-12(18)13(19)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7H2,(H,16,18)
InChIKeyJBUUHJUABDBSTF-UHFFFAOYSA-N
MW329.17 g/mol
LogP2.54
Rot. Bonds1

About N-(4-bromo-2-fluorophenyl)-2-oxo-2-piperidin-1-ylacetamide

N-(4-bromo-2-fluorophenyl)-2-oxo-2-piperidin-1-ylacetamide (PubChem CID 2951182) has the molecular formula C13H14BrFN2O2 and a molecular weight of 329.17 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-oxo-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-oxo-2-piperidin-1-ylacetamide
PubChem CID2951182
Molecular FormulaC13H14BrFN2O2
Molecular Weight329.17 g/mol
Exact Mass328.02
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-oxo-2-piperidin-1-ylacetamide
SMILESO=C(Nc1ccc(Br)cc1F)C(=O)N1CCCCC1
InChIInChI=1S/C13H14BrFN2O2/c14-9-4-5-11(10(15)8-9)16-12(18)13(19)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7H2,(H,16,18)
InChIKeyJBUUHJUABDBSTF-UHFFFAOYSA-N
XLogP2.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-oxo-2-piperidin-1-ylacetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-oxo-2-piperidin-1-ylacetamide (CID 2951182) is N-(4-bromo-2-fluorophenyl)-2-oxo-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-oxo-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-oxo-2-piperidin-1-ylacetamide is O=C(Nc1ccc(Br)cc1F)C(=O)N1CCCCC1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-oxo-2-piperidin-1-ylacetamide?
The InChIKey is JBUUHJUABDBSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O2/c14-9-4-5-11(10(15)8-9)16-12(18)13(19)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7H2,(H,16,18).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-oxo-2-piperidin-1-ylacetamide?
N-(4-bromo-2-fluorophenyl)-2-oxo-2-piperidin-1-ylacetamide has a molecular weight of 329.17 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-oxo-2-piperidin-1-ylacetamide is sourced from PubChem (CID 2951182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).