4-[3-[(4-fluorophenyl)methyl]-5-methylfuran-2-carbonyl]-1-methylpyrrolidine-2,3-dione

C18H16FNO4 — CID 91567014

IUPAC4-[3-[(4-fluorophenyl)methyl]-5-methylfuran-2-carbonyl]-1-methylpyrrolidine-2,3-dione
SMILESCc1cc(Cc2ccc(F)cc2)c(C(=O)C2CN(C)C(=O)C2=O)o1
InChIInChI=1S/C18H16FNO4/c1-10-7-12(8-11-3-5-13(19)6-4-11)17(24-10)15(21)14-9-20(2)18(23)16(14)22/h3-7,14H,8-9H2,1-2H3
InChIKeyLGXJVOBWTAKEIC-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.16
Rot. Bonds4

About 4-[3-[(4-fluorophenyl)methyl]-5-methylfuran-2-carbonyl]-1-methylpyrrolidine-2,3-dione

4-[3-[(4-fluorophenyl)methyl]-5-methylfuran-2-carbonyl]-1-methylpyrrolidine-2,3-dione (PubChem CID 91567014) has the molecular formula C18H16FNO4 and a molecular weight of 329.33 g/mol. Its IUPAC name is 4-[3-[(4-fluorophenyl)methyl]-5-methylfuran-2-carbonyl]-1-methylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-[3-[(4-fluorophenyl)methyl]-5-methylfuran-2-carbonyl]-1-methylpyrrolidine-2,3-dione
PubChem CID91567014
Molecular FormulaC18H16FNO4
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name4-[3-[(4-fluorophenyl)methyl]-5-methylfuran-2-carbonyl]-1-methylpyrrolidine-2,3-dione
SMILESCc1cc(Cc2ccc(F)cc2)c(C(=O)C2CN(C)C(=O)C2=O)o1
InChIInChI=1S/C18H16FNO4/c1-10-7-12(8-11-3-5-13(19)6-4-11)17(24-10)15(21)14-9-20(2)18(23)16(14)22/h3-7,14H,8-9H2,1-2H3
InChIKeyLGXJVOBWTAKEIC-UHFFFAOYSA-N
XLogP2.16
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4-[3-[(4-fluorophenyl)methyl]-5-methylfuran-2-carbonyl]-1-methylpyrrolidine-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluorophenyl)methyl]-5-methylfuran-2-carbonyl]-1-methylpyrrolidine-2,3-dione?
The IUPAC name of 4-[3-[(4-fluorophenyl)methyl]-5-methylfuran-2-carbonyl]-1-methylpyrrolidine-2,3-dione (CID 91567014) is 4-[3-[(4-fluorophenyl)methyl]-5-methylfuran-2-carbonyl]-1-methylpyrrolidine-2,3-dione.
What is the SMILES notation for 4-[3-[(4-fluorophenyl)methyl]-5-methylfuran-2-carbonyl]-1-methylpyrrolidine-2,3-dione?
The canonical SMILES for 4-[3-[(4-fluorophenyl)methyl]-5-methylfuran-2-carbonyl]-1-methylpyrrolidine-2,3-dione is Cc1cc(Cc2ccc(F)cc2)c(C(=O)C2CN(C)C(=O)C2=O)o1.
What is the InChIKey of 4-[3-[(4-fluorophenyl)methyl]-5-methylfuran-2-carbonyl]-1-methylpyrrolidine-2,3-dione?
The InChIKey is LGXJVOBWTAKEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4/c1-10-7-12(8-11-3-5-13(19)6-4-11)17(24-10)15(21)14-9-20(2)18(23)16(14)22/h3-7,14H,8-9H2,1-2H3.
What are the key properties of 4-[3-[(4-fluorophenyl)methyl]-5-methylfuran-2-carbonyl]-1-methylpyrrolidine-2,3-dione?
4-[3-[(4-fluorophenyl)methyl]-5-methylfuran-2-carbonyl]-1-methylpyrrolidine-2,3-dione has a molecular weight of 329.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-fluorophenyl)methyl]-5-methylfuran-2-carbonyl]-1-methylpyrrolidine-2,3-dione is sourced from PubChem (CID 91567014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).