3-[1-(3-fluorophenyl)ethylamino]-1-methylpyrrolidine-2,5-dione

C13H15FN2O2 — CID 54964613

IUPAC3-[1-(3-fluorophenyl)ethylamino]-1-methylpyrrolidine-2,5-dione
SMILESCC(NC1CC(=O)N(C)C1=O)c1cccc(F)c1
InChIInChI=1S/C13H15FN2O2/c1-8(9-4-3-5-10(14)6-9)15-11-7-12(17)16(2)13(11)18/h3-6,8,11,15H,7H2,1-2H3
InChIKeyJXDKURLYJDUKLK-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.23
Rot. Bonds3

About 3-[1-(3-fluorophenyl)ethylamino]-1-methylpyrrolidine-2,5-dione

3-[1-(3-fluorophenyl)ethylamino]-1-methylpyrrolidine-2,5-dione (PubChem CID 54964613) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)ethylamino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)ethylamino]-1-methylpyrrolidine-2,5-dione
PubChem CID54964613
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name3-[1-(3-fluorophenyl)ethylamino]-1-methylpyrrolidine-2,5-dione
SMILESCC(NC1CC(=O)N(C)C1=O)c1cccc(F)c1
InChIInChI=1S/C13H15FN2O2/c1-8(9-4-3-5-10(14)6-9)15-11-7-12(17)16(2)13(11)18/h3-6,8,11,15H,7H2,1-2H3
InChIKeyJXDKURLYJDUKLK-UHFFFAOYSA-N
XLogP1.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.23
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-[1-(3-fluorophenyl)ethylamino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[1-(3-fluorophenyl)ethylamino]-1-methylpyrrolidine-2,5-dione (CID 54964613) is 3-[1-(3-fluorophenyl)ethylamino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[1-(3-fluorophenyl)ethylamino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[1-(3-fluorophenyl)ethylamino]-1-methylpyrrolidine-2,5-dione is CC(NC1CC(=O)N(C)C1=O)c1cccc(F)c1.
What is the InChIKey of 3-[1-(3-fluorophenyl)ethylamino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is JXDKURLYJDUKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-8(9-4-3-5-10(14)6-9)15-11-7-12(17)16(2)13(11)18/h3-6,8,11,15H,7H2,1-2H3.
What are the key properties of 3-[1-(3-fluorophenyl)ethylamino]-1-methylpyrrolidine-2,5-dione?
3-[1-(3-fluorophenyl)ethylamino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 250.27 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)ethylamino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 54964613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).