3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one

C18H16FNO5 — CID 22937929

IUPAC3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCO)C1)c1ccc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C18H16FNO5/c19-12-3-1-11(2-4-12)9-13-5-6-15(25-13)16(22)14-10-20(7-8-21)18(24)17(14)23/h1-6,21,23H,7-10H2
InChIKeyOWMKWLUWRSJLFQ-UHFFFAOYSA-N
MW345.33 g/mol
LogP1.84
Rot. Bonds6

About 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one

3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one (PubChem CID 22937929) has the molecular formula C18H16FNO5 and a molecular weight of 345.33 g/mol. Its IUPAC name is 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one
PubChem CID22937929
Molecular FormulaC18H16FNO5
Molecular Weight345.33 g/mol
Exact Mass345.10
IUPAC Name3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCO)C1)c1ccc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C18H16FNO5/c19-12-3-1-11(2-4-12)9-13-5-6-15(25-13)16(22)14-10-20(7-8-21)18(24)17(14)23/h1-6,21,23H,7-10H2
InChIKeyOWMKWLUWRSJLFQ-UHFFFAOYSA-N
XLogP1.84
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one (CID 22937929) is 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CCO)C1)c1ccc(Cc2ccc(F)cc2)o1.
What is the InChIKey of 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one?
The InChIKey is OWMKWLUWRSJLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO5/c19-12-3-1-11(2-4-12)9-13-5-6-15(25-13)16(22)14-10-20(7-8-21)18(24)17(14)23/h1-6,21,23H,7-10H2.
What are the key properties of 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one?
3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one has a molecular weight of 345.33 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 22937929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).