3-[4-bromo-2-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione

C11H8BrF3N2O3 — CID 103193075

IUPAC3-[4-bromo-2-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(Br)cc2OC(F)(F)F)C(=O)N1
InChIInChI=1S/C11H8BrF3N2O3/c12-5-1-2-6(8(3-5)20-11(13,14)15)16-7-4-9(18)17-10(7)19/h1-3,7,16H,4H2,(H,17,18,19)
InChIKeyHPJSZEVNPXPXJM-UHFFFAOYSA-N
MW353.09 g/mol
LogP2.17
Rot. Bonds3

About 3-[4-bromo-2-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione

3-[4-bromo-2-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione (PubChem CID 103193075) has the molecular formula C11H8BrF3N2O3 and a molecular weight of 353.09 g/mol. Its IUPAC name is 3-[4-bromo-2-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-bromo-2-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione
PubChem CID103193075
Molecular FormulaC11H8BrF3N2O3
Molecular Weight353.09 g/mol
Exact Mass351.97
IUPAC Name3-[4-bromo-2-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(Br)cc2OC(F)(F)F)C(=O)N1
InChIInChI=1S/C11H8BrF3N2O3/c12-5-1-2-6(8(3-5)20-11(13,14)15)16-7-4-9(18)17-10(7)19/h1-3,7,16H,4H2,(H,17,18,19)
InChIKeyHPJSZEVNPXPXJM-UHFFFAOYSA-N
XLogP2.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.09
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]piperidine-2,6-dione
CID 107286372
4-bromo-N-(2,6-dimethylcyclohexyl)-2-(trifluoromethoxy)aniline
CID 103192978
3-(5-chloro-2-fluoroanilino)pyrrolidine-2,5-dione
CID 43637896
4-bromo-N-(3-ethoxycyclobutyl)-2-(trifluoromethoxy)aniline
CID 103193031
3-(2-methoxy-4-nitroanilino)pyrrolidine-2,5-dione
CID 62881212
4-bromo-N-(cyclopentylmethyl)-2-(trifluoromethoxy)aniline
CID 103192838
3-(2-bromo-4-nitroanilino)pyrrolidine-2,5-dione
CID 107810815
N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-methylpiperidin-3-amine
CID 103192890
N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-chloromethanesulfonamide
CID 103193585
5-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 103193595
3-(2,6-dibromoanilino)pyrrolidine-2,5-dione
CID 107598662

Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-2-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[4-bromo-2-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione (CID 103193075) is 3-[4-bromo-2-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-bromo-2-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-bromo-2-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione is O=C1CC(Nc2ccc(Br)cc2OC(F)(F)F)C(=O)N1.
What is the InChIKey of 3-[4-bromo-2-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione?
The InChIKey is HPJSZEVNPXPXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2O3/c12-5-1-2-6(8(3-5)20-11(13,14)15)16-7-4-9(18)17-10(7)19/h1-3,7,16H,4H2,(H,17,18,19).
What are the key properties of 3-[4-bromo-2-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione?
3-[4-bromo-2-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione has a molecular weight of 353.09 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-bromo-2-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione is sourced from PubChem (CID 103193075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).