1-ethyl-4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-2,3-dihydropyridin-6-one

C20H20FNO3 — CID 126690265

IUPAC1-ethyl-4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-2,3-dihydropyridin-6-one
SMILESCCN1CCC(C(=O)c2ccc(Cc3ccc(F)cc3)o2)=C(C)C1=O
InChIInChI=1S/C20H20FNO3/c1-3-22-11-10-17(13(2)20(22)24)19(23)18-9-8-16(25-18)12-14-4-6-15(21)7-5-14/h4-9H,3,10-12H2,1-2H3
InChIKeyVJRNWARAYAXWRG-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.76
Rot. Bonds5

About 1-ethyl-4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-2,3-dihydropyridin-6-one

1-ethyl-4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-2,3-dihydropyridin-6-one (PubChem CID 126690265) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is 1-ethyl-4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-ethyl-4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-2,3-dihydropyridin-6-one
PubChem CID126690265
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name1-ethyl-4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-2,3-dihydropyridin-6-one
SMILESCCN1CCC(C(=O)c2ccc(Cc3ccc(F)cc3)o2)=C(C)C1=O
InChIInChI=1S/C20H20FNO3/c1-3-22-11-10-17(13(2)20(22)24)19(23)18-9-8-16(25-18)12-14-4-6-15(21)7-5-14/h4-9H,3,10-12H2,1-2H3
InChIKeyVJRNWARAYAXWRG-UHFFFAOYSA-N
XLogP3.76
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-2,3-dihydropyridin-6-one?
The IUPAC name of 1-ethyl-4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-2,3-dihydropyridin-6-one (CID 126690265) is 1-ethyl-4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-ethyl-4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-ethyl-4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-2,3-dihydropyridin-6-one is CCN1CCC(C(=O)c2ccc(Cc3ccc(F)cc3)o2)=C(C)C1=O.
What is the InChIKey of 1-ethyl-4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-2,3-dihydropyridin-6-one?
The InChIKey is VJRNWARAYAXWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c1-3-22-11-10-17(13(2)20(22)24)19(23)18-9-8-16(25-18)12-14-4-6-15(21)7-5-14/h4-9H,3,10-12H2,1-2H3.
What are the key properties of 1-ethyl-4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-2,3-dihydropyridin-6-one?
1-ethyl-4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-2,3-dihydropyridin-6-one has a molecular weight of 341.38 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 126690265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).