2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one

C21H20FNO5 — CID 2937580

IUPAC2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(CC3CCCO3)C2c2ccccc2F)o1
InChIInChI=1S/C21H20FNO5/c1-12-8-9-16(28-12)19(24)17-18(14-6-2-3-7-15(14)22)23(21(26)20(17)25)11-13-5-4-10-27-13/h2-3,6-9,13,18,25H,4-5,10-11H2,1H3
InChIKeyUOTAPTONPIFLNR-UHFFFAOYSA-N
MW385.39 g/mol
LogP3.48
Rot. Bonds5

About 2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one

2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one (PubChem CID 2937580) has the molecular formula C21H20FNO5 and a molecular weight of 385.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
PubChem CID2937580
Molecular FormulaC21H20FNO5
Molecular Weight385.39 g/mol
Exact Mass385.13
IUPAC Name2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(CC3CCCO3)C2c2ccccc2F)o1
InChIInChI=1S/C21H20FNO5/c1-12-8-9-16(28-12)19(24)17-18(14-6-2-3-7-15(14)22)23(21(26)20(17)25)11-13-5-4-10-27-13/h2-3,6-9,13,18,25H,4-5,10-11H2,1H3
InChIKeyUOTAPTONPIFLNR-UHFFFAOYSA-N
XLogP3.48
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one (CID 2937580) is 2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one is Cc1ccc(C(=O)C2=C(O)C(=O)N(CC3CCCO3)C2c2ccccc2F)o1.
What is the InChIKey of 2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is UOTAPTONPIFLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO5/c1-12-8-9-16(28-12)19(24)17-18(14-6-2-3-7-15(14)22)23(21(26)20(17)25)11-13-5-4-10-27-13/h2-3,6-9,13,18,25H,4-5,10-11H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one?
2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 385.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2937580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).