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

C26H17BrFNO5 — CID 108578743

IUPAC3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccccc1C1C(C(=O)c2cc3cc(Br)ccc3o2)=C(O)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C26H17BrFNO5/c1-33-20-5-3-2-4-18(20)23-22(24(30)21-13-14-12-15(27)6-11-19(14)34-21)25(31)26(32)29(23)17-9-7-16(28)8-10-17/h2-13,23,31H,1H3
InChIKeySRXANOYVVRCGCW-UHFFFAOYSA-N
MW522.33 g/mol
LogP6.13
Rot. Bonds5

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

3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one (PubChem CID 108578743) has the molecular formula C26H17BrFNO5 and a molecular weight of 522.33 g/mol. Its IUPAC name is 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
PubChem CID108578743
Molecular FormulaC26H17BrFNO5
Molecular Weight522.33 g/mol
Exact Mass521.03
IUPAC Name3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccccc1C1C(C(=O)c2cc3cc(Br)ccc3o2)=C(O)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C26H17BrFNO5/c1-33-20-5-3-2-4-18(20)23-22(24(30)21-13-14-12-15(27)6-11-19(14)34-21)25(31)26(32)29(23)17-9-7-16(28)8-10-17/h2-13,23,31H,1H3
InChIKeySRXANOYVVRCGCW-UHFFFAOYSA-N
XLogP6.13
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.33
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one (CID 108578743) is 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one is COc1ccccc1C1C(C(=O)c2cc3cc(Br)ccc3o2)=C(O)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is SRXANOYVVRCGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17BrFNO5/c1-33-20-5-3-2-4-18(20)23-22(24(30)21-13-14-12-15(27)6-11-19(14)34-21)25(31)26(32)29(23)17-9-7-16(28)8-10-17/h2-13,23,31H,1H3.
What are the key properties of 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one?
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 522.33 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108578743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).