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

C25H17F4NO4 — CID 58045036

IUPAC5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
SMILESCOc1ccc(C(=O)C2C(=O)C(=O)N(c3cccc(C(F)(F)F)c3)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C25H17F4NO4/c1-34-19-11-7-15(8-12-19)22(31)20-21(14-5-9-17(26)10-6-14)30(24(33)23(20)32)18-4-2-3-16(13-18)25(27,28)29/h2-13,20-21H,1H3
InChIKeyHHCNJPVWNYMGEH-UHFFFAOYSA-N
MW471.41 g/mol
LogP5.01
Rot. Bonds5

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

5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione (PubChem CID 58045036) has the molecular formula C25H17F4NO4 and a molecular weight of 471.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
PubChem CID58045036
Molecular FormulaC25H17F4NO4
Molecular Weight471.41 g/mol
Exact Mass471.11
IUPAC Name5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
SMILESCOc1ccc(C(=O)C2C(=O)C(=O)N(c3cccc(C(F)(F)F)c3)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C25H17F4NO4/c1-34-19-11-7-15(8-12-19)22(31)20-21(14-5-9-17(26)10-6-14)30(24(33)23(20)32)18-4-2-3-16(13-18)25(27,28)29/h2-13,20-21H,1H3
InChIKeyHHCNJPVWNYMGEH-UHFFFAOYSA-N
XLogP5.01
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.41
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione?
The IUPAC name of 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione (CID 58045036) is 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione?
The canonical SMILES for 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione is COc1ccc(C(=O)C2C(=O)C(=O)N(c3cccc(C(F)(F)F)c3)C2c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione?
The InChIKey is HHCNJPVWNYMGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F4NO4/c1-34-19-11-7-15(8-12-19)22(31)20-21(14-5-9-17(26)10-6-14)30(24(33)23(20)32)18-4-2-3-16(13-18)25(27,28)29/h2-13,20-21H,1H3.
What are the key properties of 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione?
5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione has a molecular weight of 471.41 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione is sourced from PubChem (CID 58045036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).