3-(3-fluoro-2-hydroxy-4-methylanilino)-1-phenylpyrrole-2,5-dione

C17H13FN2O3 — CID 165078173

IUPAC3-(3-fluoro-2-hydroxy-4-methylanilino)-1-phenylpyrrole-2,5-dione
SMILESCc1ccc(NC2=CC(=O)N(c3ccccc3)C2=O)c(O)c1F
InChIInChI=1S/C17H13FN2O3/c1-10-7-8-12(16(22)15(10)18)19-13-9-14(21)20(17(13)23)11-5-3-2-4-6-11/h2-9,19,22H,1H3
InChIKeyUQZMZWKHHGBWJL-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.71
Rot. Bonds3

About 3-(3-fluoro-2-hydroxy-4-methylanilino)-1-phenylpyrrole-2,5-dione

3-(3-fluoro-2-hydroxy-4-methylanilino)-1-phenylpyrrole-2,5-dione (PubChem CID 165078173) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is 3-(3-fluoro-2-hydroxy-4-methylanilino)-1-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-fluoro-2-hydroxy-4-methylanilino)-1-phenylpyrrole-2,5-dione
PubChem CID165078173
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Name3-(3-fluoro-2-hydroxy-4-methylanilino)-1-phenylpyrrole-2,5-dione
SMILESCc1ccc(NC2=CC(=O)N(c3ccccc3)C2=O)c(O)c1F
InChIInChI=1S/C17H13FN2O3/c1-10-7-8-12(16(22)15(10)18)19-13-9-14(21)20(17(13)23)11-5-3-2-4-6-11/h2-9,19,22H,1H3
InChIKeyUQZMZWKHHGBWJL-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-fluoro-2-hydroxy-4-methylanilino)-1-phenylpyrrole-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-fluoro-2-hydroxy-4-methylanilino)-1-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(3-fluoro-2-hydroxy-4-methylanilino)-1-phenylpyrrole-2,5-dione (CID 165078173) is 3-(3-fluoro-2-hydroxy-4-methylanilino)-1-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(3-fluoro-2-hydroxy-4-methylanilino)-1-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(3-fluoro-2-hydroxy-4-methylanilino)-1-phenylpyrrole-2,5-dione is Cc1ccc(NC2=CC(=O)N(c3ccccc3)C2=O)c(O)c1F.
What is the InChIKey of 3-(3-fluoro-2-hydroxy-4-methylanilino)-1-phenylpyrrole-2,5-dione?
The InChIKey is UQZMZWKHHGBWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-10-7-8-12(16(22)15(10)18)19-13-9-14(21)20(17(13)23)11-5-3-2-4-6-11/h2-9,19,22H,1H3.
What are the key properties of 3-(3-fluoro-2-hydroxy-4-methylanilino)-1-phenylpyrrole-2,5-dione?
3-(3-fluoro-2-hydroxy-4-methylanilino)-1-phenylpyrrole-2,5-dione has a molecular weight of 312.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2-hydroxy-4-methylanilino)-1-phenylpyrrole-2,5-dione is sourced from PubChem (CID 165078173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).