3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione

C17H15FN2O2 — CID 2877115

IUPAC3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(NCc2ccc(F)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H15FN2O2/c18-13-8-6-12(7-9-13)11-19-15-10-16(21)20(17(15)22)14-4-2-1-3-5-14/h1-9,15,19H,10-11H2
InChIKeyOAGXPHPNDYSICI-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.25
Rot. Bonds4

About 3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione

3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione (PubChem CID 2877115) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
PubChem CID2877115
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(NCc2ccc(F)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H15FN2O2/c18-13-8-6-12(7-9-13)11-19-15-10-16(21)20(17(15)22)14-4-2-1-3-5-14/h1-9,15,19H,10-11H2
InChIKeyOAGXPHPNDYSICI-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
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-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione (CID 2877115) is 3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione is O=C1CC(NCc2ccc(F)cc2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is OAGXPHPNDYSICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c18-13-8-6-12(7-9-13)11-19-15-10-16(21)20(17(15)22)14-4-2-1-3-5-14/h1-9,15,19H,10-11H2.
What are the key properties of 3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione?
3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 298.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 2877115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).