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

C23H18FNO5 — CID 22937595

IUPAC3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(4-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccc(N2CC(C(=O)c3ccc(Cc4ccc(F)cc4)o3)=C(O)C2=O)cc1
InChIInChI=1S/C23H18FNO5/c1-29-17-8-6-16(7-9-17)25-13-19(22(27)23(25)28)21(26)20-11-10-18(30-20)12-14-2-4-15(24)5-3-14/h2-11,27H,12-13H2,1H3
InChIKeyWULLFLRENXYKGQ-UHFFFAOYSA-N
MW407.40 g/mol
LogP4.06
Rot. Bonds6

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

3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(4-methoxyphenyl)-2H-pyrrol-5-one (PubChem CID 22937595) has the molecular formula C23H18FNO5 and a molecular weight of 407.40 g/mol. Its IUPAC name is 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(4-methoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(4-methoxyphenyl)-2H-pyrrol-5-one
PubChem CID22937595
Molecular FormulaC23H18FNO5
Molecular Weight407.40 g/mol
Exact Mass407.12
IUPAC Name3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(4-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccc(N2CC(C(=O)c3ccc(Cc4ccc(F)cc4)o3)=C(O)C2=O)cc1
InChIInChI=1S/C23H18FNO5/c1-29-17-8-6-16(7-9-17)25-13-19(22(27)23(25)28)21(26)20-11-10-18(30-20)12-14-2-4-15(24)5-3-14/h2-11,27H,12-13H2,1H3
InChIKeyWULLFLRENXYKGQ-UHFFFAOYSA-N
XLogP4.06
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
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-(4-methoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(4-methoxyphenyl)-2H-pyrrol-5-one (CID 22937595) is 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(4-methoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(4-methoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(4-methoxyphenyl)-2H-pyrrol-5-one is COc1ccc(N2CC(C(=O)c3ccc(Cc4ccc(F)cc4)o3)=C(O)C2=O)cc1.
What is the InChIKey of 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(4-methoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is WULLFLRENXYKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO5/c1-29-17-8-6-16(7-9-17)25-13-19(22(27)23(25)28)21(26)20-11-10-18(30-20)12-14-2-4-15(24)5-3-14/h2-11,27H,12-13H2,1H3.
What are the key properties of 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(4-methoxyphenyl)-2H-pyrrol-5-one?
3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(4-methoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 407.40 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 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-(4-methoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 22937595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).