1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C22H21ClFN3O3 — CID 53155687

About 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 53155687) has the molecular formula C22H21ClFN3O3 and a molecular weight of 429.88 g/mol. Its IUPAC name is 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 53155687
• Molecular Formula: C22H21ClFN3O3
• Molecular Weight: 429.88 g/mol
• Exact Mass: 429.13
• IUPAC Name: 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: CC(=O)N1CCc2cc(N3CC(C(=O)NCc4ccc(F)c(Cl)c4)CC3=O)ccc21
• InChI: InChI=1S/C22H21ClFN3O3/c1-13(28)26-7-6-15-9-17(3-5-20(15)26)27-12-16(10-21(27)29)22(30)25-11-14-2-4-19(24)18(23)8-14/h2-5,8-9,16H,6-7,10-12H2,1H3,(H,25,30)
• InChIKey: XCEFYGVEPNSHLC-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.88
LogP ≤ 5	3.06
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-[(3-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 53155687) is 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is CC(=O)N1CCc2cc(N3CC(C(=O)NCc4ccc(F)c(Cl)c4)CC3=O)ccc21.

What is the InChIKey of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is XCEFYGVEPNSHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN3O3/c1-13(28)26-7-6-15-9-17(3-5-20(15)26)27-12-16(10-21(27)29)22(30)25-11-14-2-4-19(24)18(23)8-14/h2-5,8-9,16H,6-7,10-12H2,1H3,(H,25,30).

What are the key properties of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?

1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 429.88 g/mol, XLogP of 3.06, 4 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-[(3-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 53155687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).