3-[1-(2,6-difluorophenyl)propan-2-ylamino]pyrrolidine-2,5-dione

C13H14F2N2O2 — CID 54866793

IUPAC3-[1-(2,6-difluorophenyl)propan-2-ylamino]pyrrolidine-2,5-dione
SMILESCC(Cc1c(F)cccc1F)NC1CC(=O)NC1=O
InChIInChI=1S/C13H14F2N2O2/c1-7(16-11-6-12(18)17-13(11)19)5-8-9(14)3-2-4-10(8)15/h2-4,7,11,16H,5-6H2,1H3,(H,17,18,19)
InChIKeyUJXQDHMPIZXQBT-UHFFFAOYSA-N
MW268.26 g/mol
LogP0.90
Rot. Bonds4

About 3-[1-(2,6-difluorophenyl)propan-2-ylamino]pyrrolidine-2,5-dione

3-[1-(2,6-difluorophenyl)propan-2-ylamino]pyrrolidine-2,5-dione (PubChem CID 54866793) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 3-[1-(2,6-difluorophenyl)propan-2-ylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[1-(2,6-difluorophenyl)propan-2-ylamino]pyrrolidine-2,5-dione
PubChem CID54866793
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name3-[1-(2,6-difluorophenyl)propan-2-ylamino]pyrrolidine-2,5-dione
SMILESCC(Cc1c(F)cccc1F)NC1CC(=O)NC1=O
InChIInChI=1S/C13H14F2N2O2/c1-7(16-11-6-12(18)17-13(11)19)5-8-9(14)3-2-4-10(8)15/h2-4,7,11,16H,5-6H2,1H3,(H,17,18,19)
InChIKeyUJXQDHMPIZXQBT-UHFFFAOYSA-N
XLogP0.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 50.90
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-[1-(2,6-difluorophenyl)propan-2-ylamino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[1-(2,6-difluorophenyl)propan-2-ylamino]pyrrolidine-2,5-dione (CID 54866793) is 3-[1-(2,6-difluorophenyl)propan-2-ylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[1-(2,6-difluorophenyl)propan-2-ylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[1-(2,6-difluorophenyl)propan-2-ylamino]pyrrolidine-2,5-dione is CC(Cc1c(F)cccc1F)NC1CC(=O)NC1=O.
What is the InChIKey of 3-[1-(2,6-difluorophenyl)propan-2-ylamino]pyrrolidine-2,5-dione?
The InChIKey is UJXQDHMPIZXQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-7(16-11-6-12(18)17-13(11)19)5-8-9(14)3-2-4-10(8)15/h2-4,7,11,16H,5-6H2,1H3,(H,17,18,19).
What are the key properties of 3-[1-(2,6-difluorophenyl)propan-2-ylamino]pyrrolidine-2,5-dione?
3-[1-(2,6-difluorophenyl)propan-2-ylamino]pyrrolidine-2,5-dione has a molecular weight of 268.26 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-difluorophenyl)propan-2-ylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 54866793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).