N-(2,3-dihydro-1-benzofuran-3-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C20H17F3N2O3 — CID 71935425

About N-(2,3-dihydro-1-benzofuran-3-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

N-(2,3-dihydro-1-benzofuran-3-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 71935425) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1-benzofuran-3-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
• PubChem CID: 71935425
• Molecular Formula: C20H17F3N2O3
• Molecular Weight: 390.36 g/mol
• Exact Mass: 390.12
• IUPAC Name: N-(2,3-dihydro-1-benzofuran-3-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
• SMILES: O=C(NC1COc2ccccc21)C1CC(=O)N(c2cccc(C(F)(F)F)c2)C1
• InChI: InChI=1S/C20H17F3N2O3/c21-20(22,23)13-4-3-5-14(9-13)25-10-12(8-18(25)26)19(27)24-16-11-28-17-7-2-1-6-15(16)17/h1-7,9,12,16H,8,10-11H2,(H,24,27)
• InChIKey: KIAZSRBQMKJDFR-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.36
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?

The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 71935425) is N-(2,3-dihydro-1-benzofuran-3-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?

The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is O=C(NC1COc2ccccc21)C1CC(=O)N(c2cccc(C(F)(F)F)c2)C1.

What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?

The InChIKey is KIAZSRBQMKJDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3/c21-20(22,23)13-4-3-5-14(9-13)25-10-12(8-18(25)26)19(27)24-16-11-28-17-7-2-1-6-15(16)17/h1-7,9,12,16H,8,10-11H2,(H,24,27).

What are the key properties of N-(2,3-dihydro-1-benzofuran-3-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?

N-(2,3-dihydro-1-benzofuran-3-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 390.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1-benzofuran-3-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 71935425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).