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

C15H19FN2O3 — CID 43638292

IUPAC1-butan-2-yl-3-(3-fluoro-4-methoxyanilino)pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(Nc2ccc(OC)c(F)c2)C1=O
InChIInChI=1S/C15H19FN2O3/c1-4-9(2)18-14(19)8-12(15(18)20)17-10-5-6-13(21-3)11(16)7-10/h5-7,9,12,17H,4,8H2,1-3H3
InChIKeyZTDCLMPGUHLWNY-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.17
Rot. Bonds5

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

1-butan-2-yl-3-(3-fluoro-4-methoxyanilino)pyrrolidine-2,5-dione (PubChem CID 43638292) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-butan-2-yl-3-(3-fluoro-4-methoxyanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-butan-2-yl-3-(3-fluoro-4-methoxyanilino)pyrrolidine-2,5-dione
PubChem CID43638292
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-butan-2-yl-3-(3-fluoro-4-methoxyanilino)pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(Nc2ccc(OC)c(F)c2)C1=O
InChIInChI=1S/C15H19FN2O3/c1-4-9(2)18-14(19)8-12(15(18)20)17-10-5-6-13(21-3)11(16)7-10/h5-7,9,12,17H,4,8H2,1-3H3
InChIKeyZTDCLMPGUHLWNY-UHFFFAOYSA-N
XLogP2.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethoxyanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636447
1-butan-2-yl-3-(2,5-difluoroanilino)pyrrolidine-2,5-dione
CID 43638216
1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione
CID 43638142
1-butan-2-yl-3-(2-fluoro-4-methylanilino)pyrrolidine-2,5-dione
CID 43638252
1-butan-2-yl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 60933145
3-(1,3-benzothiazol-6-ylamino)-1-butan-2-ylpyrrolidine-2,5-dione
CID 107804197
1-butan-2-yl-3-(2-chloro-5-fluoroanilino)pyrrolidine-2,5-dione
CID 107528066
3-(2-bromo-6-fluoroanilino)-1-butan-2-ylpyrrolidine-2,5-dione
CID 107598669
3-(4-fluoro-3-methoxyanilino)-1-methylpyrrolidine-2,5-dione
CID 114839205
1-butan-2-yl-3-(pyridin-3-ylamino)pyrrolidine-2,5-dione
CID 43638129
3-(3-bromo-4-fluoroanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 104776646
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-5-fluorobenzonitrile
CID 82016968

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(3-fluoro-4-methoxyanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-butan-2-yl-3-(3-fluoro-4-methoxyanilino)pyrrolidine-2,5-dione (CID 43638292) is 1-butan-2-yl-3-(3-fluoro-4-methoxyanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-butan-2-yl-3-(3-fluoro-4-methoxyanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-butan-2-yl-3-(3-fluoro-4-methoxyanilino)pyrrolidine-2,5-dione is CCC(C)N1C(=O)CC(Nc2ccc(OC)c(F)c2)C1=O.
What is the InChIKey of 1-butan-2-yl-3-(3-fluoro-4-methoxyanilino)pyrrolidine-2,5-dione?
The InChIKey is ZTDCLMPGUHLWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-4-9(2)18-14(19)8-12(15(18)20)17-10-5-6-13(21-3)11(16)7-10/h5-7,9,12,17H,4,8H2,1-3H3.
What are the key properties of 1-butan-2-yl-3-(3-fluoro-4-methoxyanilino)pyrrolidine-2,5-dione?
1-butan-2-yl-3-(3-fluoro-4-methoxyanilino)pyrrolidine-2,5-dione has a molecular weight of 294.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(3-fluoro-4-methoxyanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43638292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).