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

C19H18FNO4 — CID 66789715

IUPAC3-[4-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
SMILESCC(C)N1CC(C(=O)c2cc(Cc3ccc(F)cc3)co2)=C(O)C1=O
InChIInChI=1S/C19H18FNO4/c1-11(2)21-9-15(18(23)19(21)24)17(22)16-8-13(10-25-16)7-12-3-5-14(20)6-4-12/h3-6,8,10-11,23H,7,9H2,1-2H3
InChIKeyWUDOLUMFZFVNSD-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.25
Rot. Bonds5

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

3-[4-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one (PubChem CID 66789715) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is 3-[4-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-[4-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
PubChem CID66789715
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name3-[4-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
SMILESCC(C)N1CC(C(=O)c2cc(Cc3ccc(F)cc3)co2)=C(O)C1=O
InChIInChI=1S/C19H18FNO4/c1-11(2)21-9-15(18(23)19(21)24)17(22)16-8-13(10-25-16)7-12-3-5-14(20)6-4-12/h3-6,8,10-11,23H,7,9H2,1-2H3
InChIKeyWUDOLUMFZFVNSD-UHFFFAOYSA-N
XLogP3.25
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(4-fluorophenyl)methyl]-1,3-oxazole-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
CID 66789250
3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(1-hydroxypropan-2-yl)-2H-pyrrol-5-one
CID 66789283
(4E)-4-[[2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-yl]-hydroxymethylidene]-1-propan-2-ylpyrrolidine-2,3-dione
CID 22937823
4-[[5-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-hydroxymethylidene]-1-propan-2-ylpyrrolidine-2,3-dione
CID 66789224
3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 22937595
N-[3-(3,4-dichlorophenyl)propyl]-1-[(1S)-1-(4-fluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 90302353
4-[5-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione
CID 91601177
4-[2-(4-fluorophenyl)acetyl]-1-propan-2-ylpiperazin-2-one
CID 110708991
(3S)-N-[2-(4-fluorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9401620
2-(4-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 110737209
2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-one
CID 91664746
N-[4-(3,4-dichlorophenyl)butan-2-yl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 89480017

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
The IUPAC name of 3-[4-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one (CID 66789715) is 3-[4-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-[4-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-[4-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one is CC(C)N1CC(C(=O)c2cc(Cc3ccc(F)cc3)co2)=C(O)C1=O.
What is the InChIKey of 3-[4-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
The InChIKey is WUDOLUMFZFVNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4/c1-11(2)21-9-15(18(23)19(21)24)17(22)16-8-13(10-25-16)7-12-3-5-14(20)6-4-12/h3-6,8,10-11,23H,7,9H2,1-2H3.
What are the key properties of 3-[4-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
3-[4-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one has a molecular weight of 343.35 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 66789715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).