4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxypentyl)pyrrolidine-2,3-dione

C21H22FNO5 — CID 91100619

IUPAC4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxypentyl)pyrrolidine-2,3-dione
SMILESCCCC(O)CN1CC(C(=O)c2ccc(Cc3ccc(F)cc3)o2)C(=O)C1=O
InChIInChI=1S/C21H22FNO5/c1-2-3-15(24)11-23-12-17(20(26)21(23)27)19(25)18-9-8-16(28-18)10-13-4-6-14(22)7-5-13/h4-9,15,17,24H,2-3,10-12H2,1H3
InChIKeyNLLATAGJRQOFCQ-UHFFFAOYSA-N
MW387.41 g/mol
LogP2.38
Rot. Bonds8

About 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxypentyl)pyrrolidine-2,3-dione

4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxypentyl)pyrrolidine-2,3-dione (PubChem CID 91100619) has the molecular formula C21H22FNO5 and a molecular weight of 387.41 g/mol. Its IUPAC name is 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxypentyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxypentyl)pyrrolidine-2,3-dione
PubChem CID91100619
Molecular FormulaC21H22FNO5
Molecular Weight387.41 g/mol
Exact Mass387.15
IUPAC Name4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxypentyl)pyrrolidine-2,3-dione
SMILESCCCC(O)CN1CC(C(=O)c2ccc(Cc3ccc(F)cc3)o2)C(=O)C1=O
InChIInChI=1S/C21H22FNO5/c1-2-3-15(24)11-23-12-17(20(26)21(23)27)19(25)18-9-8-16(28-18)10-13-4-6-14(22)7-5-13/h4-9,15,17,24H,2-3,10-12H2,1H3
InChIKeyNLLATAGJRQOFCQ-UHFFFAOYSA-N
XLogP2.38
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxypentyl)pyrrolidine-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-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxypentyl)pyrrolidine-2,3-dione?
The IUPAC name of 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxypentyl)pyrrolidine-2,3-dione (CID 91100619) is 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxypentyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxypentyl)pyrrolidine-2,3-dione?
The canonical SMILES for 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxypentyl)pyrrolidine-2,3-dione is CCCC(O)CN1CC(C(=O)c2ccc(Cc3ccc(F)cc3)o2)C(=O)C1=O.
What is the InChIKey of 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxypentyl)pyrrolidine-2,3-dione?
The InChIKey is NLLATAGJRQOFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO5/c1-2-3-15(24)11-23-12-17(20(26)21(23)27)19(25)18-9-8-16(28-18)10-13-4-6-14(22)7-5-13/h4-9,15,17,24H,2-3,10-12H2,1H3.
What are the key properties of 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxypentyl)pyrrolidine-2,3-dione?
4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxypentyl)pyrrolidine-2,3-dione has a molecular weight of 387.41 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxypentyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 91100619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).