1-(2,5-difluorophenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione

C17H11F2NO4 — CID 110581015

IUPAC1-(2,5-difluorophenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(O)C(=O)N(c3cc(F)ccc3F)C2=O)cc1
InChIInChI=1S/C17H11F2NO4/c1-24-11-5-2-9(3-6-11)14-15(21)17(23)20(16(14)22)13-8-10(18)4-7-12(13)19/h2-8,21H,1H3
InChIKeyDELZNYLIBDEVQC-UHFFFAOYSA-N
MW331.27 g/mol
LogP2.82
Rot. Bonds3

About 1-(2,5-difluorophenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione

1-(2,5-difluorophenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 110581015) has the molecular formula C17H11F2NO4 and a molecular weight of 331.27 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione
PubChem CID110581015
Molecular FormulaC17H11F2NO4
Molecular Weight331.27 g/mol
Exact Mass331.07
IUPAC Name1-(2,5-difluorophenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(O)C(=O)N(c3cc(F)ccc3F)C2=O)cc1
InChIInChI=1S/C17H11F2NO4/c1-24-11-5-2-9(3-6-11)14-15(21)17(23)20(16(14)22)13-8-10(18)4-7-12(13)19/h2-8,21H,1H3
InChIKeyDELZNYLIBDEVQC-UHFFFAOYSA-N
XLogP2.82
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-(2,5-difluorophenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione 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

1-(2,5-difluorophenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110582334
1-(2,5-difluorophenyl)-3-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110558240
1-(2,5-difluorophenyl)-3-(N-ethylanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110558253
3-(4-chlorophenyl)-1-(3,5-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione
CID 110581815
1-(3,5-dimethylphenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110580961
1-(5-chloro-2-methylphenyl)-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione
CID 110582945
3-hydroxy-4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110580996
3-hydroxy-4-(4-methoxyphenyl)-1-(2-propoxyphenyl)pyrrole-2,5-dione
CID 110580995
1-(2,4-dimethoxyphenyl)-3-hydroxy-4-phenylpyrrole-2,5-dione
CID 110581247
1-(3-chloro-4-methoxyphenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110580965
1-(2,5-difluorophenyl)-3-ethylsulfanyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577792
1-(2,4-dimethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582438

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,5-difluorophenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione (CID 110581015) is 1-(2,5-difluorophenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione is COc1ccc(C2=C(O)C(=O)N(c3cc(F)ccc3F)C2=O)cc1.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is DELZNYLIBDEVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO4/c1-24-11-5-2-9(3-6-11)14-15(21)17(23)20(16(14)22)13-8-10(18)4-7-12(13)19/h2-8,21H,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione?
1-(2,5-difluorophenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 331.27 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110581015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).