1-ethyl-3-(2-fluoro-5-methylanilino)pyrrolidine-2,5-dione

C13H15FN2O2 — CID 43636618

IUPAC1-ethyl-3-(2-fluoro-5-methylanilino)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(Nc2cc(C)ccc2F)C1=O
InChIInChI=1S/C13H15FN2O2/c1-3-16-12(17)7-11(13(16)18)15-10-6-8(2)4-5-9(10)14/h4-6,11,15H,3,7H2,1-2H3
InChIKeySFGYQASGYACYCC-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.69
Rot. Bonds3

About 1-ethyl-3-(2-fluoro-5-methylanilino)pyrrolidine-2,5-dione

1-ethyl-3-(2-fluoro-5-methylanilino)pyrrolidine-2,5-dione (PubChem CID 43636618) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-ethyl-3-(2-fluoro-5-methylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-(2-fluoro-5-methylanilino)pyrrolidine-2,5-dione
PubChem CID43636618
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name1-ethyl-3-(2-fluoro-5-methylanilino)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(Nc2cc(C)ccc2F)C1=O
InChIInChI=1S/C13H15FN2O2/c1-3-16-12(17)7-11(13(16)18)15-10-6-8(2)4-5-9(10)14/h4-6,11,15H,3,7H2,1-2H3
InChIKeySFGYQASGYACYCC-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dimethylanilino)-1-ethylpyrrolidine-2,5-dione
CID 17420290
3-(4-chloro-2-fluoroanilino)-1-ethylpyrrolidine-2,5-dione
CID 60706396
3-(2,6-difluoro-3-methylanilino)-1-ethylpyrrolidine-2,5-dione
CID 82819042
3-(2,5-dichloro-4-methylanilino)-1-ethylpyrrolidine-2,5-dione
CID 104726633
(3S)-3-(3,4-dimethylanilino)-1-ethylpyrrolidine-2,5-dione
CID 894359
3-(2,5-difluoro-4-methylanilino)-1-propylpyrrolidine-2,5-dione
CID 103585414
1-butan-2-yl-3-(2-fluoro-4-methylanilino)pyrrolidine-2,5-dione
CID 43638252
3-(4-bromo-3-methylanilino)-1-ethylpyrrolidine-2,5-dione
CID 43411448
3-(2-ethoxyanilino)-1-ethylpyrrolidine-2,5-dione
CID 43411500
3-[(5-bromo-2-fluorophenyl)methylamino]-1-ethylpyrrolidine-2,5-dione
CID 61299860
3-(2,5-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 43844310
3-(5-bromo-4-fluoro-2-methylanilino)-1-propylpyrrolidine-2,5-dione
CID 107591763

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-fluoro-5-methylanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-(2-fluoro-5-methylanilino)pyrrolidine-2,5-dione (CID 43636618) is 1-ethyl-3-(2-fluoro-5-methylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-(2-fluoro-5-methylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-(2-fluoro-5-methylanilino)pyrrolidine-2,5-dione is CCN1C(=O)CC(Nc2cc(C)ccc2F)C1=O.
What is the InChIKey of 1-ethyl-3-(2-fluoro-5-methylanilino)pyrrolidine-2,5-dione?
The InChIKey is SFGYQASGYACYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-3-16-12(17)7-11(13(16)18)15-10-6-8(2)4-5-9(10)14/h4-6,11,15H,3,7H2,1-2H3.
What are the key properties of 1-ethyl-3-(2-fluoro-5-methylanilino)pyrrolidine-2,5-dione?
1-ethyl-3-(2-fluoro-5-methylanilino)pyrrolidine-2,5-dione has a molecular weight of 250.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-fluoro-5-methylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43636618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).