3-(4-fluoroanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

C17H12F4N2O2 — CID 586529

IUPAC3-(4-fluoroanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(F)cc2)C(=O)N1c1ccccc1C(F)(F)F
InChIInChI=1S/C17H12F4N2O2/c18-10-5-7-11(8-6-10)22-13-9-15(24)23(16(13)25)14-4-2-1-3-12(14)17(19,20)21/h1-8,13,22H,9H2
InChIKeyMHNWPJAWTNPYKZ-UHFFFAOYSA-N
MW352.29 g/mol
LogP3.59
Rot. Bonds3

About 3-(4-fluoroanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

3-(4-fluoroanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (PubChem CID 586529) has the molecular formula C17H12F4N2O2 and a molecular weight of 352.29 g/mol. Its IUPAC name is 3-(4-fluoroanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-fluoroanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
PubChem CID586529
Molecular FormulaC17H12F4N2O2
Molecular Weight352.29 g/mol
Exact Mass352.08
IUPAC Name3-(4-fluoroanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(F)cc2)C(=O)N1c1ccccc1C(F)(F)F
InChIInChI=1S/C17H12F4N2O2/c18-10-5-7-11(8-6-10)22-13-9-15(24)23(16(13)25)14-4-2-1-3-12(14)17(19,20)21/h1-8,13,22H,9H2
InChIKeyMHNWPJAWTNPYKZ-UHFFFAOYSA-N
XLogP3.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-fluoroanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (CID 586529) is 3-(4-fluoroanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-fluoroanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-fluoroanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is O=C1CC(Nc2ccc(F)cc2)C(=O)N1c1ccccc1C(F)(F)F.
What is the InChIKey of 3-(4-fluoroanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The InChIKey is MHNWPJAWTNPYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O2/c18-10-5-7-11(8-6-10)22-13-9-15(24)23(16(13)25)14-4-2-1-3-12(14)17(19,20)21/h1-8,13,22H,9H2.
What are the key properties of 3-(4-fluoroanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
3-(4-fluoroanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 352.29 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 586529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).