3-[(2,5-difluorophenyl)methylamino]pyrrolidine-2,5-dione

C11H10F2N2O2 — CID 63795507

IUPAC3-[(2,5-difluorophenyl)methylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCc2cc(F)ccc2F)C(=O)N1
InChIInChI=1S/C11H10F2N2O2/c12-7-1-2-8(13)6(3-7)5-14-9-4-10(16)15-11(9)17/h1-3,9,14H,4-5H2,(H,15,16,17)
InChIKeyLMZGBKANDDRPDG-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.47
Rot. Bonds3

About 3-[(2,5-difluorophenyl)methylamino]pyrrolidine-2,5-dione

3-[(2,5-difluorophenyl)methylamino]pyrrolidine-2,5-dione (PubChem CID 63795507) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)methylamino]pyrrolidine-2,5-dione
PubChem CID63795507
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name3-[(2,5-difluorophenyl)methylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCc2cc(F)ccc2F)C(=O)N1
InChIInChI=1S/C11H10F2N2O2/c12-7-1-2-8(13)6(3-7)5-14-9-4-10(16)15-11(9)17/h1-3,9,14H,4-5H2,(H,15,16,17)
InChIKeyLMZGBKANDDRPDG-UHFFFAOYSA-N
XLogP0.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.47
H-Bond Donors ≤ 52
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-[(2,5-difluorophenyl)methylamino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(2,5-difluorophenyl)methylamino]pyrrolidine-2,5-dione (CID 63795507) is 3-[(2,5-difluorophenyl)methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(2,5-difluorophenyl)methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(2,5-difluorophenyl)methylamino]pyrrolidine-2,5-dione is O=C1CC(NCc2cc(F)ccc2F)C(=O)N1.
What is the InChIKey of 3-[(2,5-difluorophenyl)methylamino]pyrrolidine-2,5-dione?
The InChIKey is LMZGBKANDDRPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c12-7-1-2-8(13)6(3-7)5-14-9-4-10(16)15-11(9)17/h1-3,9,14H,4-5H2,(H,15,16,17).
What are the key properties of 3-[(2,5-difluorophenyl)methylamino]pyrrolidine-2,5-dione?
3-[(2,5-difluorophenyl)methylamino]pyrrolidine-2,5-dione has a molecular weight of 240.21 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 63795507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).