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

C17H10F4N2O2 — CID 164627910

IUPAC3-(3-fluoroanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2ccccc2C(F)(F)F)=C1Nc1cccc(F)c1
InChIInChI=1S/C17H10F4N2O2/c18-9-4-3-5-10(8-9)22-14-13(15(24)23-16(14)25)11-6-1-2-7-12(11)17(19,20)21/h1-8H,(H2,22,23,24,25)
InChIKeyRZVWQTQPIIBUIS-UHFFFAOYSA-N
MW350.27 g/mol
LogP3.32
Rot. Bonds3

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

3-(3-fluoroanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione (PubChem CID 164627910) has the molecular formula C17H10F4N2O2 and a molecular weight of 350.27 g/mol. Its IUPAC name is 3-(3-fluoroanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-fluoroanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione
PubChem CID164627910
Molecular FormulaC17H10F4N2O2
Molecular Weight350.27 g/mol
Exact Mass350.07
IUPAC Name3-(3-fluoroanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2ccccc2C(F)(F)F)=C1Nc1cccc(F)c1
InChIInChI=1S/C17H10F4N2O2/c18-9-4-3-5-10(8-9)22-14-13(15(24)23-16(14)25)11-6-1-2-7-12(11)17(19,20)21/h1-8H,(H2,22,23,24,25)
InChIKeyRZVWQTQPIIBUIS-UHFFFAOYSA-N
XLogP3.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-fluoroanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-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-(3-fluoroanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 3-(3-fluoroanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione (CID 164627910) is 3-(3-fluoroanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(3-fluoroanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 3-(3-fluoroanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione is O=C1NC(=O)C(c2ccccc2C(F)(F)F)=C1Nc1cccc(F)c1.
What is the InChIKey of 3-(3-fluoroanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The InChIKey is RZVWQTQPIIBUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N2O2/c18-9-4-3-5-10(8-9)22-14-13(15(24)23-16(14)25)11-6-1-2-7-12(11)17(19,20)21/h1-8H,(H2,22,23,24,25).
What are the key properties of 3-(3-fluoroanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
3-(3-fluoroanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione has a molecular weight of 350.27 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 164627910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).