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

C19H18FNO5 — CID 66789283

IUPAC3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(1-hydroxypropan-2-yl)-2H-pyrrol-5-one
SMILESCC(CO)N1CC(C(=O)c2ccc(Cc3ccc(F)cc3)o2)=C(O)C1=O
InChIInChI=1S/C19H18FNO5/c1-11(10-22)21-9-15(18(24)19(21)25)17(23)16-7-6-14(26-16)8-12-2-4-13(20)5-3-12/h2-7,11,22,24H,8-10H2,1H3
InChIKeyPDIQQOMXBHOJGA-UHFFFAOYSA-N
MW359.35 g/mol
LogP2.23
Rot. Bonds6

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

3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(1-hydroxypropan-2-yl)-2H-pyrrol-5-one (PubChem CID 66789283) has the molecular formula C19H18FNO5 and a molecular weight of 359.35 g/mol. Its IUPAC name is 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(1-hydroxypropan-2-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(1-hydroxypropan-2-yl)-2H-pyrrol-5-one
PubChem CID66789283
Molecular FormulaC19H18FNO5
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(1-hydroxypropan-2-yl)-2H-pyrrol-5-one
SMILESCC(CO)N1CC(C(=O)c2ccc(Cc3ccc(F)cc3)o2)=C(O)C1=O
InChIInChI=1S/C19H18FNO5/c1-11(10-22)21-9-15(18(24)19(21)25)17(23)16-7-6-14(26-16)8-12-2-4-13(20)5-3-12/h2-7,11,22,24H,8-10H2,1H3
InChIKeyPDIQQOMXBHOJGA-UHFFFAOYSA-N
XLogP2.23
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 52.23
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-(1-hydroxypropan-2-yl)-2H-pyrrol-5-one?
The IUPAC name of 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(1-hydroxypropan-2-yl)-2H-pyrrol-5-one (CID 66789283) is 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(1-hydroxypropan-2-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(1-hydroxypropan-2-yl)-2H-pyrrol-5-one?
The canonical SMILES for 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(1-hydroxypropan-2-yl)-2H-pyrrol-5-one is CC(CO)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-(1-hydroxypropan-2-yl)-2H-pyrrol-5-one?
The InChIKey is PDIQQOMXBHOJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO5/c1-11(10-22)21-9-15(18(24)19(21)25)17(23)16-7-6-14(26-16)8-12-2-4-13(20)5-3-12/h2-7,11,22,24H,8-10H2,1H3.
What are the key properties of 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(1-hydroxypropan-2-yl)-2H-pyrrol-5-one?
3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(1-hydroxypropan-2-yl)-2H-pyrrol-5-one has a molecular weight of 359.35 g/mol, XLogP of 2.23, 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-(1-hydroxypropan-2-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 66789283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).