3-(4-ethyl-2,5-difluoroanilino)piperidine-2,6-dione

C13H14F2N2O2 — CID 176683649

IUPAC3-(4-ethyl-2,5-difluoroanilino)piperidine-2,6-dione
SMILESCCc1cc(F)c(NC2CCC(=O)NC2=O)cc1F
InChIInChI=1S/C13H14F2N2O2/c1-2-7-5-9(15)11(6-8(7)14)16-10-3-4-12(18)17-13(10)19/h5-6,10,16H,2-4H2,1H3,(H,17,18,19)
InChIKeyMARHVICHGOOIAJ-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.74
Rot. Bonds3

About 3-(4-ethyl-2,5-difluoroanilino)piperidine-2,6-dione

3-(4-ethyl-2,5-difluoroanilino)piperidine-2,6-dione (PubChem CID 176683649) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 3-(4-ethyl-2,5-difluoroanilino)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-ethyl-2,5-difluoroanilino)piperidine-2,6-dione
PubChem CID176683649
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name3-(4-ethyl-2,5-difluoroanilino)piperidine-2,6-dione
SMILESCCc1cc(F)c(NC2CCC(=O)NC2=O)cc1F
InChIInChI=1S/C13H14F2N2O2/c1-2-7-5-9(15)11(6-8(7)14)16-10-3-4-12(18)17-13(10)19/h5-6,10,16H,2-4H2,1H3,(H,17,18,19)
InChIKeyMARHVICHGOOIAJ-UHFFFAOYSA-N
XLogP1.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.74
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-(4-ethyl-2,5-difluoroanilino)piperidine-2,6-dione?
The IUPAC name of 3-(4-ethyl-2,5-difluoroanilino)piperidine-2,6-dione (CID 176683649) is 3-(4-ethyl-2,5-difluoroanilino)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-ethyl-2,5-difluoroanilino)piperidine-2,6-dione?
The canonical SMILES for 3-(4-ethyl-2,5-difluoroanilino)piperidine-2,6-dione is CCc1cc(F)c(NC2CCC(=O)NC2=O)cc1F.
What is the InChIKey of 3-(4-ethyl-2,5-difluoroanilino)piperidine-2,6-dione?
The InChIKey is MARHVICHGOOIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-2-7-5-9(15)11(6-8(7)14)16-10-3-4-12(18)17-13(10)19/h5-6,10,16H,2-4H2,1H3,(H,17,18,19).
What are the key properties of 3-(4-ethyl-2,5-difluoroanilino)piperidine-2,6-dione?
3-(4-ethyl-2,5-difluoroanilino)piperidine-2,6-dione has a molecular weight of 268.26 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2,5-difluoroanilino)piperidine-2,6-dione is sourced from PubChem (CID 176683649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).