4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione

C26H20F3NO5 — CID 123287039

IUPAC4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
SMILESCOc1ccc(C(=O)C2C(=O)C(=O)N(c3cccc(C(F)(F)F)c3)C2c2ccccc2OC)cc1
InChIInChI=1S/C26H20F3NO5/c1-34-18-12-10-15(11-13-18)23(31)21-22(19-8-3-4-9-20(19)35-2)30(25(33)24(21)32)17-7-5-6-16(14-17)26(27,28)29/h3-14,21-22H,1-2H3
InChIKeyIPYPVCSEAPORRU-UHFFFAOYSA-N
MW483.44 g/mol
LogP4.88
Rot. Bonds6

About 4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione

4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione (PubChem CID 123287039) has the molecular formula C26H20F3NO5 and a molecular weight of 483.44 g/mol. Its IUPAC name is 4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
PubChem CID123287039
Molecular FormulaC26H20F3NO5
Molecular Weight483.44 g/mol
Exact Mass483.13
IUPAC Name4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
SMILESCOc1ccc(C(=O)C2C(=O)C(=O)N(c3cccc(C(F)(F)F)c3)C2c2ccccc2OC)cc1
InChIInChI=1S/C26H20F3NO5/c1-34-18-12-10-15(11-13-18)23(31)21-22(19-8-3-4-9-20(19)35-2)30(25(33)24(21)32)17-7-5-6-16(14-17)26(27,28)29/h3-14,21-22H,1-2H3
InChIKeyIPYPVCSEAPORRU-UHFFFAOYSA-N
XLogP4.88
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.44
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 58045036
5-(4-hydroxy-3-methoxyphenyl)-4-(4-methoxybenzoyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 58045339
4-benzoyl-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 4218140
1-(4-fluorophenyl)-5-(2-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione
CID 123469121
4-benzoyl-5-(2,5-dimethoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione
CID 91896451
(5S)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 41042862
ethyl 4-[2-(4-aminooxy-2-methoxyphenyl)-3-benzoyl-4,5-dioxopyrrolidin-1-yl]benzoate
CID 123653337
5-(3,4-dimethoxyphenyl)-4-(4-methoxybenzoyl)-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 58045228
(2R)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 40909817
5-(2-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione
CID 123172145
(2R)-3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 1334862
tert-butyl 2-[2-[3-benzoyl-1-(4-methoxyphenyl)-4,5-dioxopyrrolidin-2-yl]-5-chlorophenoxy]acetate
CID 123824360

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione?
The IUPAC name of 4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione (CID 123287039) is 4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione.
What is the SMILES notation for 4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione?
The canonical SMILES for 4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione is COc1ccc(C(=O)C2C(=O)C(=O)N(c3cccc(C(F)(F)F)c3)C2c2ccccc2OC)cc1.
What is the InChIKey of 4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione?
The InChIKey is IPYPVCSEAPORRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3NO5/c1-34-18-12-10-15(11-13-18)23(31)21-22(19-8-3-4-9-20(19)35-2)30(25(33)24(21)32)17-7-5-6-16(14-17)26(27,28)29/h3-14,21-22H,1-2H3.
What are the key properties of 4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione?
4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione has a molecular weight of 483.44 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione is sourced from PubChem (CID 123287039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).