3-(2,6-difluoro-3-methylanilino)-1-ethylpyrrolidine-2,5-dione

C13H14F2N2O2 — CID 82819042

IUPAC3-(2,6-difluoro-3-methylanilino)-1-ethylpyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(Nc2c(F)ccc(C)c2F)C1=O
InChIInChI=1S/C13H14F2N2O2/c1-3-17-10(18)6-9(13(17)19)16-12-8(14)5-4-7(2)11(12)15/h4-5,9,16H,3,6H2,1-2H3
InChIKeyINWPWGBCTQKTSR-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.83
Rot. Bonds3

About 3-(2,6-difluoro-3-methylanilino)-1-ethylpyrrolidine-2,5-dione

3-(2,6-difluoro-3-methylanilino)-1-ethylpyrrolidine-2,5-dione (PubChem CID 82819042) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 3-(2,6-difluoro-3-methylanilino)-1-ethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,6-difluoro-3-methylanilino)-1-ethylpyrrolidine-2,5-dione
PubChem CID82819042
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name3-(2,6-difluoro-3-methylanilino)-1-ethylpyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(Nc2c(F)ccc(C)c2F)C1=O
InChIInChI=1S/C13H14F2N2O2/c1-3-17-10(18)6-9(13(17)19)16-12-8(14)5-4-7(2)11(12)15/h4-5,9,16H,3,6H2,1-2H3
InChIKeyINWPWGBCTQKTSR-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.83
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-(2,6-difluoro-3-methylanilino)-1-ethylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2,6-difluoro-3-methylanilino)-1-ethylpyrrolidine-2,5-dione (CID 82819042) is 3-(2,6-difluoro-3-methylanilino)-1-ethylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,6-difluoro-3-methylanilino)-1-ethylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,6-difluoro-3-methylanilino)-1-ethylpyrrolidine-2,5-dione is CCN1C(=O)CC(Nc2c(F)ccc(C)c2F)C1=O.
What is the InChIKey of 3-(2,6-difluoro-3-methylanilino)-1-ethylpyrrolidine-2,5-dione?
The InChIKey is INWPWGBCTQKTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-3-17-10(18)6-9(13(17)19)16-12-8(14)5-4-7(2)11(12)15/h4-5,9,16H,3,6H2,1-2H3.
What are the key properties of 3-(2,6-difluoro-3-methylanilino)-1-ethylpyrrolidine-2,5-dione?
3-(2,6-difluoro-3-methylanilino)-1-ethylpyrrolidine-2,5-dione has a molecular weight of 268.26 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-3-methylanilino)-1-ethylpyrrolidine-2,5-dione is sourced from PubChem (CID 82819042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).