[(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl] 4-(trifluoromethyl)benzoate

C20H16F3NO4 — CID 155223757

IUPAC[(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl] 4-(trifluoromethyl)benzoate
SMILESO=C(O[C@@H]1CC(=O)N(CCc2ccccc2)C1=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F3NO4/c21-20(22,23)15-8-6-14(7-9-15)19(27)28-16-12-17(25)24(18(16)26)11-10-13-4-2-1-3-5-13/h1-9,16H,10-12H2/t16-/m1/s1
InChIKeyRPEJPJCIAPEIFK-MRXNPFEDSA-N
MW391.35 g/mol
LogP3.23
Rot. Bonds5

About [(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl] 4-(trifluoromethyl)benzoate

[(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl] 4-(trifluoromethyl)benzoate (PubChem CID 155223757) has the molecular formula C20H16F3NO4 and a molecular weight of 391.35 g/mol. Its IUPAC name is [(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl] 4-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name[(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl] 4-(trifluoromethyl)benzoate
PubChem CID155223757
Molecular FormulaC20H16F3NO4
Molecular Weight391.35 g/mol
Exact Mass391.10
IUPAC Name[(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl] 4-(trifluoromethyl)benzoate
SMILESO=C(O[C@@H]1CC(=O)N(CCc2ccccc2)C1=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F3NO4/c21-20(22,23)15-8-6-14(7-9-15)19(27)28-16-12-17(25)24(18(16)26)11-10-13-4-2-1-3-5-13/h1-9,16H,10-12H2/t16-/m1/s1
InChIKeyRPEJPJCIAPEIFK-MRXNPFEDSA-N
XLogP3.23
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl] 4-(trifluoromethyl)benzoate 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 [(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl] 4-(trifluoromethyl)benzoate?
The IUPAC name of [(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl] 4-(trifluoromethyl)benzoate (CID 155223757) is [(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl] 4-(trifluoromethyl)benzoate.
What is the SMILES notation for [(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl] 4-(trifluoromethyl)benzoate?
The canonical SMILES for [(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl] 4-(trifluoromethyl)benzoate is O=C(O[C@@H]1CC(=O)N(CCc2ccccc2)C1=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl] 4-(trifluoromethyl)benzoate?
The InChIKey is RPEJPJCIAPEIFK-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H16F3NO4/c21-20(22,23)15-8-6-14(7-9-15)19(27)28-16-12-17(25)24(18(16)26)11-10-13-4-2-1-3-5-13/h1-9,16H,10-12H2/t16-/m1/s1.
What are the key properties of [(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl] 4-(trifluoromethyl)benzoate?
[(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl] 4-(trifluoromethyl)benzoate has a molecular weight of 391.35 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl] 4-(trifluoromethyl)benzoate is sourced from PubChem (CID 155223757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).