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

C17H14FNO4 — CID 22937611

IUPAC3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCN1CC(C(=O)c2ccc(Cc3ccc(F)cc3)o2)=C(O)C1=O
InChIInChI=1S/C17H14FNO4/c1-19-9-13(16(21)17(19)22)15(20)14-7-6-12(23-14)8-10-2-4-11(18)5-3-10/h2-7,21H,8-9H2,1H3
InChIKeyRHWDLYLOSFIGIW-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.48
Rot. Bonds4

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

3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (PubChem CID 22937611) has the molecular formula C17H14FNO4 and a molecular weight of 315.30 g/mol. Its IUPAC name is 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one
PubChem CID22937611
Molecular FormulaC17H14FNO4
Molecular Weight315.30 g/mol
Exact Mass315.09
IUPAC Name3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCN1CC(C(=O)c2ccc(Cc3ccc(F)cc3)o2)=C(O)C1=O
InChIInChI=1S/C17H14FNO4/c1-19-9-13(16(21)17(19)22)15(20)14-7-6-12(23-14)8-10-2-4-11(18)5-3-10/h2-7,21H,8-9H2,1H3
InChIKeyRHWDLYLOSFIGIW-UHFFFAOYSA-N
XLogP2.48
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (CID 22937611) is 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one is CN1CC(C(=O)c2ccc(Cc3ccc(F)cc3)o2)=C(O)C1=O.
What is the InChIKey of 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The InChIKey is RHWDLYLOSFIGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO4/c1-19-9-13(16(21)17(19)22)15(20)14-7-6-12(23-14)8-10-2-4-11(18)5-3-10/h2-7,21H,8-9H2,1H3.
What are the key properties of 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one?
3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one has a molecular weight of 315.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 22937611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).