1-[4-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione

C22H12F6N2O4 — CID 156554608

IUPAC1-[4-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(-c2ccc(N3C(=O)C=CC3O)cc2C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C22H12F6N2O4/c23-21(24,25)15-9-11(29-17(31)5-6-18(29)32)1-3-13(15)14-4-2-12(10-16(14)22(26,27)28)30-19(33)7-8-20(30)34/h1-10,17,31H
InChIKeyMGWFSYCYEUVZDL-UHFFFAOYSA-N
MW482.34 g/mol
LogP4.04
Rot. Bonds3

About 1-[4-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione

1-[4-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione (PubChem CID 156554608) has the molecular formula C22H12F6N2O4 and a molecular weight of 482.34 g/mol. Its IUPAC name is 1-[4-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
PubChem CID156554608
Molecular FormulaC22H12F6N2O4
Molecular Weight482.34 g/mol
Exact Mass482.07
IUPAC Name1-[4-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(-c2ccc(N3C(=O)C=CC3O)cc2C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C22H12F6N2O4/c23-21(24,25)15-9-11(29-17(31)5-6-18(29)32)1-3-13(15)14-4-2-12(10-16(14)22(26,27)28)30-19(33)7-8-20(30)34/h1-10,17,31H
InChIKeyMGWFSYCYEUVZDL-UHFFFAOYSA-N
XLogP4.04
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione (CID 156554608) is 1-[4-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccc(-c2ccc(N3C(=O)C=CC3O)cc2C(F)(F)F)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The InChIKey is MGWFSYCYEUVZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F6N2O4/c23-21(24,25)15-9-11(29-17(31)5-6-18(29)32)1-3-13(15)14-4-2-12(10-16(14)22(26,27)28)30-19(33)7-8-20(30)34/h1-10,17,31H.
What are the key properties of 1-[4-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
1-[4-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione has a molecular weight of 482.34 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 156554608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).