1-benzyl-3-(4-fluoroanilino)pyrrolidine-2,5-dione

C17H15FN2O2 — CID 2855936

IUPAC1-benzyl-3-(4-fluoroanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(F)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H15FN2O2/c18-13-6-8-14(9-7-13)19-15-10-16(21)20(17(15)22)11-12-4-2-1-3-5-12/h1-9,15,19H,10-11H2
InChIKeyGZPWHNNGZRRZSH-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.57
Rot. Bonds4

About 1-benzyl-3-(4-fluoroanilino)pyrrolidine-2,5-dione

1-benzyl-3-(4-fluoroanilino)pyrrolidine-2,5-dione (PubChem CID 2855936) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 1-benzyl-3-(4-fluoroanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-(4-fluoroanilino)pyrrolidine-2,5-dione
PubChem CID2855936
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name1-benzyl-3-(4-fluoroanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(F)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H15FN2O2/c18-13-6-8-14(9-7-13)19-15-10-16(21)20(17(15)22)11-12-4-2-1-3-5-12/h1-9,15,19H,10-11H2
InChIKeyGZPWHNNGZRRZSH-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.57
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 1-benzyl-3-(4-fluoroanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-benzyl-3-(4-fluoroanilino)pyrrolidine-2,5-dione (CID 2855936) is 1-benzyl-3-(4-fluoroanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-benzyl-3-(4-fluoroanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-benzyl-3-(4-fluoroanilino)pyrrolidine-2,5-dione is O=C1CC(Nc2ccc(F)cc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(4-fluoroanilino)pyrrolidine-2,5-dione?
The InChIKey is GZPWHNNGZRRZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c18-13-6-8-14(9-7-13)19-15-10-16(21)20(17(15)22)11-12-4-2-1-3-5-12/h1-9,15,19H,10-11H2.
What are the key properties of 1-benzyl-3-(4-fluoroanilino)pyrrolidine-2,5-dione?
1-benzyl-3-(4-fluoroanilino)pyrrolidine-2,5-dione has a molecular weight of 298.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-fluoroanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 2855936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).