1-butan-2-yl-3-(2-fluoro-4-methylanilino)pyrrolidine-2,5-dione

C15H19FN2O2 — CID 43638252

IUPAC1-butan-2-yl-3-(2-fluoro-4-methylanilino)pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(Nc2ccc(C)cc2F)C1=O
InChIInChI=1S/C15H19FN2O2/c1-4-10(3)18-14(19)8-13(15(18)20)17-12-6-5-9(2)7-11(12)16/h5-7,10,13,17H,4,8H2,1-3H3
InChIKeyZHIZKRZYIGNFHG-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.47
Rot. Bonds4

About 1-butan-2-yl-3-(2-fluoro-4-methylanilino)pyrrolidine-2,5-dione

1-butan-2-yl-3-(2-fluoro-4-methylanilino)pyrrolidine-2,5-dione (PubChem CID 43638252) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-butan-2-yl-3-(2-fluoro-4-methylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-butan-2-yl-3-(2-fluoro-4-methylanilino)pyrrolidine-2,5-dione
PubChem CID43638252
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name1-butan-2-yl-3-(2-fluoro-4-methylanilino)pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(Nc2ccc(C)cc2F)C1=O
InChIInChI=1S/C15H19FN2O2/c1-4-10(3)18-14(19)8-13(15(18)20)17-12-6-5-9(2)7-11(12)16/h5-7,10,13,17H,4,8H2,1-3H3
InChIKeyZHIZKRZYIGNFHG-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.47
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

1-butan-2-yl-3-(2,5-difluoroanilino)pyrrolidine-2,5-dione
CID 43638216
1-butan-2-yl-3-(2-chloro-5-fluoroanilino)pyrrolidine-2,5-dione
CID 107528066
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-5-fluorobenzonitrile
CID 82016968
1-butan-2-yl-3-(3-fluoro-4-methoxyanilino)pyrrolidine-2,5-dione
CID 43638292
3-(3-bromo-5-methylanilino)-1-butan-2-ylpyrrolidine-2,5-dione
CID 107582972
3-(3-bromo-2-methylanilino)-1-butan-2-ylpyrrolidine-2,5-dione
CID 107633469
3-(2-ethoxy-4-methylanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 60934337
3-(2-bromo-6-fluoroanilino)-1-butan-2-ylpyrrolidine-2,5-dione
CID 107598669
1-butan-2-yl-3-[(5-methyl-1,2-oxazol-3-yl)amino]pyrrolidine-2,5-dione
CID 43638134
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-6-methylbenzonitrile
CID 107804189
1-ethyl-3-(2-fluoro-5-methylanilino)pyrrolidine-2,5-dione
CID 43636618
1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione
CID 43638142

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(2-fluoro-4-methylanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-butan-2-yl-3-(2-fluoro-4-methylanilino)pyrrolidine-2,5-dione (CID 43638252) is 1-butan-2-yl-3-(2-fluoro-4-methylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-butan-2-yl-3-(2-fluoro-4-methylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-butan-2-yl-3-(2-fluoro-4-methylanilino)pyrrolidine-2,5-dione is CCC(C)N1C(=O)CC(Nc2ccc(C)cc2F)C1=O.
What is the InChIKey of 1-butan-2-yl-3-(2-fluoro-4-methylanilino)pyrrolidine-2,5-dione?
The InChIKey is ZHIZKRZYIGNFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-4-10(3)18-14(19)8-13(15(18)20)17-12-6-5-9(2)7-11(12)16/h5-7,10,13,17H,4,8H2,1-3H3.
What are the key properties of 1-butan-2-yl-3-(2-fluoro-4-methylanilino)pyrrolidine-2,5-dione?
1-butan-2-yl-3-(2-fluoro-4-methylanilino)pyrrolidine-2,5-dione has a molecular weight of 278.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(2-fluoro-4-methylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43638252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).