1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H22FN3O3 — CID 53155696

About 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 53155696) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 53155696
• Molecular Formula: C22H22FN3O3
• Molecular Weight: 395.43 g/mol
• Exact Mass: 395.16
• IUPAC Name: 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
• SMILES: CC(=O)N1CCc2cc(N3CC(C(=O)Nc4cc(F)ccc4C)CC3=O)ccc21
• InChI: InChI=1S/C22H22FN3O3/c1-13-3-4-17(23)11-19(13)24-22(29)16-10-21(28)26(12-16)18-5-6-20-15(9-18)7-8-25(20)14(2)27/h3-6,9,11,16H,7-8,10,12H2,1-2H3,(H,24,29)
• InChIKey: QOHHHTGCBYRXLS-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.43
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 53155696) is 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CC(=O)N1CCc2cc(N3CC(C(=O)Nc4cc(F)ccc4C)CC3=O)ccc21.

What is the InChIKey of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?

The InChIKey is QOHHHTGCBYRXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-13-3-4-17(23)11-19(13)24-22(29)16-10-21(28)26(12-16)18-5-6-20-15(9-18)7-8-25(20)14(2)27/h3-6,9,11,16H,7-8,10,12H2,1-2H3,(H,24,29).

What are the key properties of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?

1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 53155696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).