3-(4-fluoro-3-methoxyanilino)-1-methylpyrrolidine-2,5-dione

C12H13FN2O3 — CID 114839205

IUPAC3-(4-fluoro-3-methoxyanilino)-1-methylpyrrolidine-2,5-dione
SMILESCOc1cc(NC2CC(=O)N(C)C2=O)ccc1F
InChIInChI=1S/C12H13FN2O3/c1-15-11(16)6-9(12(15)17)14-7-3-4-8(13)10(5-7)18-2/h3-5,9,14H,6H2,1-2H3
InChIKeyOJCMXTULNDMEHY-UHFFFAOYSA-N
MW252.25 g/mol
LogP1.00
Rot. Bonds3

About 3-(4-fluoro-3-methoxyanilino)-1-methylpyrrolidine-2,5-dione

3-(4-fluoro-3-methoxyanilino)-1-methylpyrrolidine-2,5-dione (PubChem CID 114839205) has the molecular formula C12H13FN2O3 and a molecular weight of 252.25 g/mol. Its IUPAC name is 3-(4-fluoro-3-methoxyanilino)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-fluoro-3-methoxyanilino)-1-methylpyrrolidine-2,5-dione
PubChem CID114839205
Molecular FormulaC12H13FN2O3
Molecular Weight252.25 g/mol
Exact Mass252.09
IUPAC Name3-(4-fluoro-3-methoxyanilino)-1-methylpyrrolidine-2,5-dione
SMILESCOc1cc(NC2CC(=O)N(C)C2=O)ccc1F
InChIInChI=1S/C12H13FN2O3/c1-15-11(16)6-9(12(15)17)14-7-3-4-8(13)10(5-7)18-2/h3-5,9,14H,6H2,1-2H3
InChIKeyOJCMXTULNDMEHY-UHFFFAOYSA-N
XLogP1.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-fluoro-4-pyrrolidin-1-ylanilino)-1-methylpyrrolidine-2,5-dione
CID 60933745
1-butan-2-yl-3-(3-fluoro-4-methoxyanilino)pyrrolidine-2,5-dione
CID 43638292
3-(4-fluoro-3-methoxyanilino)pyrrolidin-2-one
CID 126782179
3-(3,4-dimethoxyanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636447
3-(3-fluoro-5-methylanilino)-1-methylpyrrolidine-2,5-dione
CID 79055313
(3R)-1-methyl-3-[4-(4-methylphenoxy)anilino]pyrrolidine-2,5-dione
CID 51511443
3-(3,4-dihydro-1H-isochromen-6-ylamino)-1-methylpyrrolidine-2,5-dione
CID 167968882
4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzoic acid
CID 23009320
(3R)-1-benzyl-3-(3,4-dimethoxyanilino)pyrrolidine-2,5-dione
CID 51613691
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 45149279
3-[3-(2-methoxyethoxymethyl)anilino]-1-methylpyrrolidine-2,5-dione
CID 60934098
(3R)-3-(3,4-dichloroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 93235214

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methoxyanilino)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-fluoro-3-methoxyanilino)-1-methylpyrrolidine-2,5-dione (CID 114839205) is 3-(4-fluoro-3-methoxyanilino)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-fluoro-3-methoxyanilino)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-fluoro-3-methoxyanilino)-1-methylpyrrolidine-2,5-dione is COc1cc(NC2CC(=O)N(C)C2=O)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methoxyanilino)-1-methylpyrrolidine-2,5-dione?
The InChIKey is OJCMXTULNDMEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c1-15-11(16)6-9(12(15)17)14-7-3-4-8(13)10(5-7)18-2/h3-5,9,14H,6H2,1-2H3.
What are the key properties of 3-(4-fluoro-3-methoxyanilino)-1-methylpyrrolidine-2,5-dione?
3-(4-fluoro-3-methoxyanilino)-1-methylpyrrolidine-2,5-dione has a molecular weight of 252.25 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methoxyanilino)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 114839205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).