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

C20H20FNO5 — CID 91063408

IUPAC4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxybutyl)pyrrolidine-2,3-dione
SMILESCCC(O)CN1CC(C(=O)c2ccc(Cc3ccc(F)cc3)o2)C(=O)C1=O
InChIInChI=1S/C20H20FNO5/c1-2-14(23)10-22-11-16(19(25)20(22)26)18(24)17-8-7-15(27-17)9-12-3-5-13(21)6-4-12/h3-8,14,16,23H,2,9-11H2,1H3
InChIKeyVNZGZBFOUCBGKB-UHFFFAOYSA-N
MW373.38 g/mol
LogP1.99
Rot. Bonds7

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

4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxybutyl)pyrrolidine-2,3-dione (PubChem CID 91063408) has the molecular formula C20H20FNO5 and a molecular weight of 373.38 g/mol. Its IUPAC name is 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxybutyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxybutyl)pyrrolidine-2,3-dione
PubChem CID91063408
Molecular FormulaC20H20FNO5
Molecular Weight373.38 g/mol
Exact Mass373.13
IUPAC Name4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxybutyl)pyrrolidine-2,3-dione
SMILESCCC(O)CN1CC(C(=O)c2ccc(Cc3ccc(F)cc3)o2)C(=O)C1=O
InChIInChI=1S/C20H20FNO5/c1-2-14(23)10-22-11-16(19(25)20(22)26)18(24)17-8-7-15(27-17)9-12-3-5-13(21)6-4-12/h3-8,14,16,23H,2,9-11H2,1H3
InChIKeyVNZGZBFOUCBGKB-UHFFFAOYSA-N
XLogP1.99
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.99
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxybutyl)pyrrolidine-2,3-dione?
The IUPAC name of 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxybutyl)pyrrolidine-2,3-dione (CID 91063408) is 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxybutyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxybutyl)pyrrolidine-2,3-dione?
The canonical SMILES for 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxybutyl)pyrrolidine-2,3-dione is CCC(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-hydroxybutyl)pyrrolidine-2,3-dione?
The InChIKey is VNZGZBFOUCBGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO5/c1-2-14(23)10-22-11-16(19(25)20(22)26)18(24)17-8-7-15(27-17)9-12-3-5-13(21)6-4-12/h3-8,14,16,23H,2,9-11H2,1H3.
What are the key properties of 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxybutyl)pyrrolidine-2,3-dione?
4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-hydroxybutyl)pyrrolidine-2,3-dione has a molecular weight of 373.38 g/mol, XLogP of 1.99, 7 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-hydroxybutyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 91063408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).