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

C19H18FNO4 — CID 513238

IUPAC3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
SMILESCC(C)N1CC(C(=O)c2ccc(Cc3ccc(F)cc3)o2)=C(O)C1=O
InChIInChI=1S/C19H18FNO4/c1-11(2)21-10-15(18(23)19(21)24)17(22)16-8-7-14(25-16)9-12-3-5-13(20)6-4-12/h3-8,11,23H,9-10H2,1-2H3
InChIKeyYCJWIMKEDKWTGY-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.25
Rot. Bonds5

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

3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one (PubChem CID 513238) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
PubChem CID513238
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
SMILESCC(C)N1CC(C(=O)c2ccc(Cc3ccc(F)cc3)o2)=C(O)C1=O
InChIInChI=1S/C19H18FNO4/c1-11(2)21-10-15(18(23)19(21)24)17(22)16-8-7-14(25-16)9-12-3-5-13(20)6-4-12/h3-8,11,23H,9-10H2,1-2H3
InChIKeyYCJWIMKEDKWTGY-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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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
The IUPAC name of 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one (CID 513238) is 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one is CC(C)N1CC(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-propan-2-yl-2H-pyrrol-5-one?
The InChIKey is YCJWIMKEDKWTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4/c1-11(2)21-10-15(18(23)19(21)24)17(22)16-8-7-14(25-16)9-12-3-5-13(20)6-4-12/h3-8,11,23H,9-10H2,1-2H3.
What are the key properties of 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
3-[5-[(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-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 513238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).