3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-phenyl-2H-pyrrol-5-one

C26H18BrNO4 — CID 108651020

IUPAC3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-phenyl-2H-pyrrol-5-one
SMILESCc1ccccc1C1C(C(=O)c2cc3cc(Br)ccc3o2)=C(O)C(=O)N1c1ccccc1
InChIInChI=1S/C26H18BrNO4/c1-15-7-5-6-10-19(15)23-22(25(30)26(31)28(23)18-8-3-2-4-9-18)24(29)21-14-16-13-17(27)11-12-20(16)32-21/h2-14,23,30H,1H3
InChIKeyCDTCHZASCNWCHV-UHFFFAOYSA-N
MW488.34 g/mol
LogP6.29
Rot. Bonds4

About 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-phenyl-2H-pyrrol-5-one

3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-phenyl-2H-pyrrol-5-one (PubChem CID 108651020) has the molecular formula C26H18BrNO4 and a molecular weight of 488.34 g/mol. Its IUPAC name is 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-phenyl-2H-pyrrol-5-one
PubChem CID108651020
Molecular FormulaC26H18BrNO4
Molecular Weight488.34 g/mol
Exact Mass487.04
IUPAC Name3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-phenyl-2H-pyrrol-5-one
SMILESCc1ccccc1C1C(C(=O)c2cc3cc(Br)ccc3o2)=C(O)C(=O)N1c1ccccc1
InChIInChI=1S/C26H18BrNO4/c1-15-7-5-6-10-19(15)23-22(25(30)26(31)28(23)18-8-3-2-4-9-18)24(29)21-14-16-13-17(27)11-12-20(16)32-21/h2-14,23,30H,1H3
InChIKeyCDTCHZASCNWCHV-UHFFFAOYSA-N
XLogP6.29
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.34
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-bromophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one
CID 108687409
3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-methylphenyl)-2H-pyrrol-5-one
CID 108647665
3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-phenyl-1-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108599174
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3,4-dimethylphenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108625961
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3-ethoxyphenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108597798
3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-phenyl-2H-pyrrol-5-one
CID 108639337
3-(5-bromo-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one
CID 108653797
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3-chlorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
CID 108610755
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108658377
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-tert-butylphenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108589226
3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-1-(4-pyrrolidin-1-ylphenyl)-2H-pyrrol-5-one
CID 108669875
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(2,3-dimethylphenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108626135

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-phenyl-2H-pyrrol-5-one?
The IUPAC name of 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-phenyl-2H-pyrrol-5-one (CID 108651020) is 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-phenyl-2H-pyrrol-5-one is Cc1ccccc1C1C(C(=O)c2cc3cc(Br)ccc3o2)=C(O)C(=O)N1c1ccccc1.
What is the InChIKey of 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-phenyl-2H-pyrrol-5-one?
The InChIKey is CDTCHZASCNWCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18BrNO4/c1-15-7-5-6-10-19(15)23-22(25(30)26(31)28(23)18-8-3-2-4-9-18)24(29)21-14-16-13-17(27)11-12-20(16)32-21/h2-14,23,30H,1H3.
What are the key properties of 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-phenyl-2H-pyrrol-5-one?
3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-phenyl-2H-pyrrol-5-one has a molecular weight of 488.34 g/mol, XLogP of 6.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 108651020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).