1-(3,4-difluorophenyl)-2-(3-ethoxy-4-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one

C24H19F2NO6 — CID 108703633

IUPAC1-(3,4-difluorophenyl)-2-(3-ethoxy-4-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCCOc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(F)c(F)c2)ccc1OC
InChIInChI=1S/C24H19F2NO6/c1-3-32-19-11-13(6-9-17(19)31-2)21-20(22(28)18-5-4-10-33-18)23(29)24(30)27(21)14-7-8-15(25)16(26)12-14/h4-12,21,29H,3H2,1-2H3
InChIKeyRAUBOCKOBFRLLC-UHFFFAOYSA-N
MW455.41 g/mol
LogP4.75
Rot. Bonds7

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

1-(3,4-difluorophenyl)-2-(3-ethoxy-4-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 108703633) has the molecular formula C24H19F2NO6 and a molecular weight of 455.41 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(3-ethoxy-4-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(3-ethoxy-4-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID108703633
Molecular FormulaC24H19F2NO6
Molecular Weight455.41 g/mol
Exact Mass455.12
IUPAC Name1-(3,4-difluorophenyl)-2-(3-ethoxy-4-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCCOc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(F)c(F)c2)ccc1OC
InChIInChI=1S/C24H19F2NO6/c1-3-32-19-11-13(6-9-17(19)31-2)21-20(22(28)18-5-4-10-33-18)23(29)24(30)27(21)14-7-8-15(25)16(26)12-14/h4-12,21,29H,3H2,1-2H3
InChIKeyRAUBOCKOBFRLLC-UHFFFAOYSA-N
XLogP4.75
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.41
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-ethoxy-4-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-propyl-2H-pyrrol-5-one
CID 108615487
1-(3,4-difluorophenyl)-2-(3-ethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
CID 108675873
2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108703909
2-(4-butoxy-3-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
CID 3785407
(2R)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
CID 7697640
3-(1-benzofuran-2-carbonyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 108703518
2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 108703561
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
1-(3-chlorophenyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108704325
2-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one
CID 108594860
2-(3,4-diethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 3393555

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(3-ethoxy-4-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(3-ethoxy-4-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one (CID 108703633) is 1-(3,4-difluorophenyl)-2-(3-ethoxy-4-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(3-ethoxy-4-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(3-ethoxy-4-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one is CCOc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(F)c(F)c2)ccc1OC.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(3-ethoxy-4-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is RAUBOCKOBFRLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2NO6/c1-3-32-19-11-13(6-9-17(19)31-2)21-20(22(28)18-5-4-10-33-18)23(29)24(30)27(21)14-7-8-15(25)16(26)12-14/h4-12,21,29H,3H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(3-ethoxy-4-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one?
1-(3,4-difluorophenyl)-2-(3-ethoxy-4-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 455.41 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(3-ethoxy-4-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 108703633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).