1-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)anilino]pyrrolidine-2,5-dione

C17H13F3N2O3 — CID 43826677

IUPAC1-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)anilino]pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccccc2C(F)(F)F)C(=O)N1c1cccc(O)c1
InChIInChI=1S/C17H13F3N2O3/c18-17(19,20)12-6-1-2-7-13(12)21-14-9-15(24)22(16(14)25)10-4-3-5-11(23)8-10/h1-8,14,21,23H,9H2
InChIKeyKBAMLSRPDQOOJF-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.15
Rot. Bonds3

About 1-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)anilino]pyrrolidine-2,5-dione

1-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)anilino]pyrrolidine-2,5-dione (PubChem CID 43826677) has the molecular formula C17H13F3N2O3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)anilino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)anilino]pyrrolidine-2,5-dione
PubChem CID43826677
Molecular FormulaC17H13F3N2O3
Molecular Weight350.30 g/mol
Exact Mass350.09
IUPAC Name1-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)anilino]pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccccc2C(F)(F)F)C(=O)N1c1cccc(O)c1
InChIInChI=1S/C17H13F3N2O3/c18-17(19,20)12-6-1-2-7-13(12)21-14-9-15(24)22(16(14)25)10-4-3-5-11(23)8-10/h1-8,14,21,23H,9H2
InChIKeyKBAMLSRPDQOOJF-UHFFFAOYSA-N
XLogP3.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)anilino]pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)anilino]pyrrolidine-2,5-dione (CID 43826677) is 1-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)anilino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)anilino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)anilino]pyrrolidine-2,5-dione is O=C1CC(Nc2ccccc2C(F)(F)F)C(=O)N1c1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)anilino]pyrrolidine-2,5-dione?
The InChIKey is KBAMLSRPDQOOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3/c18-17(19,20)12-6-1-2-7-13(12)21-14-9-15(24)22(16(14)25)10-4-3-5-11(23)8-10/h1-8,14,21,23H,9H2.
What are the key properties of 1-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)anilino]pyrrolidine-2,5-dione?
1-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)anilino]pyrrolidine-2,5-dione has a molecular weight of 350.30 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-3-[2-(trifluoromethyl)anilino]pyrrolidine-2,5-dione is sourced from PubChem (CID 43826677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).