3-[5-bromo-2-(trifluoromethyl)anilino]piperidine-2,6-dione

C12H10BrF3N2O2 — CID 107286372

IUPAC3-[5-bromo-2-(trifluoromethyl)anilino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2cc(Br)ccc2C(F)(F)F)C(=O)N1
InChIInChI=1S/C12H10BrF3N2O2/c13-6-1-2-7(12(14,15)16)9(5-6)17-8-3-4-10(19)18-11(8)20/h1-2,5,8,17H,3-4H2,(H,18,19,20)
InChIKeyTZIBISKCPLUWEX-UHFFFAOYSA-N
MW351.12 g/mol
LogP2.68
Rot. Bonds2

About 3-[5-bromo-2-(trifluoromethyl)anilino]piperidine-2,6-dione

3-[5-bromo-2-(trifluoromethyl)anilino]piperidine-2,6-dione (PubChem CID 107286372) has the molecular formula C12H10BrF3N2O2 and a molecular weight of 351.12 g/mol. Its IUPAC name is 3-[5-bromo-2-(trifluoromethyl)anilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-bromo-2-(trifluoromethyl)anilino]piperidine-2,6-dione
PubChem CID107286372
Molecular FormulaC12H10BrF3N2O2
Molecular Weight351.12 g/mol
Exact Mass349.99
IUPAC Name3-[5-bromo-2-(trifluoromethyl)anilino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2cc(Br)ccc2C(F)(F)F)C(=O)N1
InChIInChI=1S/C12H10BrF3N2O2/c13-6-1-2-7(12(14,15)16)9(5-6)17-8-3-4-10(19)18-11(8)20/h1-2,5,8,17H,3-4H2,(H,18,19,20)
InChIKeyTZIBISKCPLUWEX-UHFFFAOYSA-N
XLogP2.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.12
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromo-2-fluoroanilino)piperidine-2,6-dione
CID 172609781
3-[5-bromo-2-(trifluoromethyl)anilino]piperidin-2-one
CID 107286185
3-(2,5-difluoroanilino)piperidine-2,6-dione
CID 170749830
N-[5-bromo-2-(trifluoromethyl)phenyl]piperidin-4-amine
CID 107286818
3-[4-bromo-2-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione
CID 103193075
4-N-[5-bromo-2-(trifluoromethyl)phenyl]-1-N-methylcyclohexane-1,4-diamine
CID 107286948
3-(2-amino-4-bromo-5-fluoroanilino)piperidine-2,6-dione
CID 66110561
3-[[4-(trifluoromethyl)-2-pyridinyl]amino]piperidine-2,6-dione
CID 66328290
3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 114565360
N-[5-bromo-2-(trifluoromethyl)phenyl]-2-methylpiperidin-4-amine
CID 107287024
3-(4-ethyl-2,5-difluoroanilino)piperidine-2,6-dione
CID 176683649
3-(2-fluoro-4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 156505691

Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-2-(trifluoromethyl)anilino]piperidine-2,6-dione?
The IUPAC name of 3-[5-bromo-2-(trifluoromethyl)anilino]piperidine-2,6-dione (CID 107286372) is 3-[5-bromo-2-(trifluoromethyl)anilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-bromo-2-(trifluoromethyl)anilino]piperidine-2,6-dione?
The canonical SMILES for 3-[5-bromo-2-(trifluoromethyl)anilino]piperidine-2,6-dione is O=C1CCC(Nc2cc(Br)ccc2C(F)(F)F)C(=O)N1.
What is the InChIKey of 3-[5-bromo-2-(trifluoromethyl)anilino]piperidine-2,6-dione?
The InChIKey is TZIBISKCPLUWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N2O2/c13-6-1-2-7(12(14,15)16)9(5-6)17-8-3-4-10(19)18-11(8)20/h1-2,5,8,17H,3-4H2,(H,18,19,20).
What are the key properties of 3-[5-bromo-2-(trifluoromethyl)anilino]piperidine-2,6-dione?
3-[5-bromo-2-(trifluoromethyl)anilino]piperidine-2,6-dione has a molecular weight of 351.12 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromo-2-(trifluoromethyl)anilino]piperidine-2,6-dione is sourced from PubChem (CID 107286372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).