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

C26H16BrF2NO4 — CID 108584185

IUPAC3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3,4-difluorophenyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
SMILESCc1cccc(C2C(C(=O)c3cc4cc(Br)ccc4o3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1
InChIInChI=1S/C26H16BrF2NO4/c1-13-3-2-4-14(9-13)23-22(24(31)21-11-15-10-16(27)5-8-20(15)34-21)25(32)26(33)30(23)17-6-7-18(28)19(29)12-17/h2-12,23,32H,1H3
InChIKeyJAQZELKCVUMSND-UHFFFAOYSA-N
MW524.32 g/mol
LogP6.56
Rot. Bonds4

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

3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3,4-difluorophenyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one (PubChem CID 108584185) has the molecular formula C26H16BrF2NO4 and a molecular weight of 524.32 g/mol. Its IUPAC name is 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3,4-difluorophenyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3,4-difluorophenyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
PubChem CID108584185
Molecular FormulaC26H16BrF2NO4
Molecular Weight524.32 g/mol
Exact Mass523.02
IUPAC Name3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3,4-difluorophenyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
SMILESCc1cccc(C2C(C(=O)c3cc4cc(Br)ccc4o3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1
InChIInChI=1S/C26H16BrF2NO4/c1-13-3-2-4-14(9-13)23-22(24(31)21-11-15-10-16(27)5-8-20(15)34-21)25(32)26(33)30(23)17-6-7-18(28)19(29)12-17/h2-12,23,32H,1H3
InChIKeyJAQZELKCVUMSND-UHFFFAOYSA-N
XLogP6.56
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.32
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3,4-difluorophenyl)-4-hydroxy-2-(3-methylphenyl)-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

Related Compounds

(5-Bromo-1-benzofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 2991840
4-(Benzo[d]furan-2-ylcarbonyl)-1-[2-(dimethylamino)ethyl]-5-(3-bromophenyl)-3-hydroxy-3-pyrrolin-2-one
CID 3564285
4-(Benzo[d]furan-2-ylcarbonyl)-5-(3-bromophenyl)-3-hydroxy-1-(2-morpholin-4-yl ethyl)-3-pyrrolin-2-one
CID 3802907
4-(1-benzofuran-2-ylcarbonyl)-1-[2-(dimethylamino)ethyl]-5-[4-(dimethylamino)phenyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
CID 5176213
5-Bromo-N-{[4-(dimethylamino)phenyl]methyl}-3-methyl-N-[(oxolan-2-YL)methyl]-1-benzofuran-2-carboxamide
CID 16014316
(5-Bromo-3-methyl-1-benzofuran-2-yl)[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 986586
1-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 58044929
(2R)-3-(4-bromophenyl)-2-[[5-(4-fluorophenyl)-1-benzofuran-2-yl]-methoxycarbonylamino]propanoic acid
CID 69428647
7-bromo-N-(4-fluorophenyl)-N-methyl-1-benzofuran-2-carboxamide
CID 166476089
4-(1-benzofuran-2-ylcarbonyl)-5-[4-(dimethylamino)phenyl]-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one
CID 3592261
5-bromo-N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 2122006
5-bromo-3-methyl-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1-benzofuran-2-carboxamide
CID 2127422

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3,4-difluorophenyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3,4-difluorophenyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one (CID 108584185) is 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3,4-difluorophenyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3,4-difluorophenyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3,4-difluorophenyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one is Cc1cccc(C2C(C(=O)c3cc4cc(Br)ccc4o3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1.
What is the InChIKey of 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3,4-difluorophenyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one?
The InChIKey is JAQZELKCVUMSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16BrF2NO4/c1-13-3-2-4-14(9-13)23-22(24(31)21-11-15-10-16(27)5-8-20(15)34-21)25(32)26(33)30(23)17-6-7-18(28)19(29)12-17/h2-12,23,32H,1H3.
What are the key properties of 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3,4-difluorophenyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one?
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3,4-difluorophenyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 524.32 g/mol, XLogP of 6.56, 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)-1-(3,4-difluorophenyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108584185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).