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

C22H16FNO5 — CID 108578646

IUPAC1-(3-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccccc1C1C(C(=O)c2ccco2)=C(O)C(=O)N1c1cccc(F)c1
InChIInChI=1S/C22H16FNO5/c1-28-16-9-3-2-8-15(16)19-18(20(25)17-10-5-11-29-17)21(26)22(27)24(19)14-7-4-6-13(23)12-14/h2-12,19,26H,1H3
InChIKeyMHERMYVGENWSSH-UHFFFAOYSA-N
MW393.37 g/mol
LogP4.21
Rot. Bonds5

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

1-(3-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one (PubChem CID 108578646) has the molecular formula C22H16FNO5 and a molecular weight of 393.37 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
PubChem CID108578646
Molecular FormulaC22H16FNO5
Molecular Weight393.37 g/mol
Exact Mass393.10
IUPAC Name1-(3-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccccc1C1C(C(=O)c2ccco2)=C(O)C(=O)N1c1cccc(F)c1
InChIInChI=1S/C22H16FNO5/c1-28-16-9-3-2-8-15(16)19-18(20(25)17-10-5-11-29-17)21(26)22(27)24(19)14-7-4-6-13(23)12-14/h2-12,19,26H,1H3
InChIKeyMHERMYVGENWSSH-UHFFFAOYSA-N
XLogP4.21
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetamide
CID 108668032
1-(3-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108578641
2-(4-chlorophenyl)-1-(3-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 108600026
1-(3-chlorophenyl)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 108602937
1-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 108577113
3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 46949084
2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 21008446
3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 108614627
(2R)-3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 780391
methyl 3-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]benzoate
CID 108667577
1-(3-chloro-4-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108670032
1-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108597781

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 1-(3-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one (CID 108578646) is 1-(3-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(3-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one is COc1ccccc1C1C(C(=O)c2ccco2)=C(O)C(=O)N1c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is MHERMYVGENWSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO5/c1-28-16-9-3-2-8-15(16)19-18(20(25)17-10-5-11-29-17)21(26)22(27)24(19)14-7-4-6-13(23)12-14/h2-12,19,26H,1H3.
What are the key properties of 1-(3-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one?
1-(3-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 393.37 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108578646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).