3-(4-bromo-2-fluoroanilino)piperidine-2,6-dione

C11H10BrFN2O2 — CID 172609781

IUPAC3-(4-bromo-2-fluoroanilino)piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccc(Br)cc2F)C(=O)N1
InChIInChI=1S/C11H10BrFN2O2/c12-6-1-2-8(7(13)5-6)14-9-3-4-10(16)15-11(9)17/h1-2,5,9,14H,3-4H2,(H,15,16,17)
InChIKeyWIIPYXGYUPIOEE-UHFFFAOYSA-N
MW301.12 g/mol
LogP1.81
Rot. Bonds2

About 3-(4-bromo-2-fluoroanilino)piperidine-2,6-dione

3-(4-bromo-2-fluoroanilino)piperidine-2,6-dione (PubChem CID 172609781) has the molecular formula C11H10BrFN2O2 and a molecular weight of 301.12 g/mol. Its IUPAC name is 3-(4-bromo-2-fluoroanilino)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-bromo-2-fluoroanilino)piperidine-2,6-dione
PubChem CID172609781
Molecular FormulaC11H10BrFN2O2
Molecular Weight301.12 g/mol
Exact Mass299.99
IUPAC Name3-(4-bromo-2-fluoroanilino)piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccc(Br)cc2F)C(=O)N1
InChIInChI=1S/C11H10BrFN2O2/c12-6-1-2-8(7(13)5-6)14-9-3-4-10(16)15-11(9)17/h1-2,5,9,14H,3-4H2,(H,15,16,17)
InChIKeyWIIPYXGYUPIOEE-UHFFFAOYSA-N
XLogP1.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.12
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-bromo-2-fluoroanilino)piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluoroanilino)piperidine-2,6-dione?
The IUPAC name of 3-(4-bromo-2-fluoroanilino)piperidine-2,6-dione (CID 172609781) is 3-(4-bromo-2-fluoroanilino)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-bromo-2-fluoroanilino)piperidine-2,6-dione?
The canonical SMILES for 3-(4-bromo-2-fluoroanilino)piperidine-2,6-dione is O=C1CCC(Nc2ccc(Br)cc2F)C(=O)N1.
What is the InChIKey of 3-(4-bromo-2-fluoroanilino)piperidine-2,6-dione?
The InChIKey is WIIPYXGYUPIOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O2/c12-6-1-2-8(7(13)5-6)14-9-3-4-10(16)15-11(9)17/h1-2,5,9,14H,3-4H2,(H,15,16,17).
What are the key properties of 3-(4-bromo-2-fluoroanilino)piperidine-2,6-dione?
3-(4-bromo-2-fluoroanilino)piperidine-2,6-dione has a molecular weight of 301.12 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluoroanilino)piperidine-2,6-dione is sourced from PubChem (CID 172609781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).