3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclobutane-1-carboxamide

C24H22F3N3O2 — CID 166008573

About 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclobutane-1-carboxamide

3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclobutane-1-carboxamide (PubChem CID 166008573) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclobutane-1-carboxamide.

Molecular Properties

• Compound Name: 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclobutane-1-carboxamide
• PubChem CID: 166008573
• Molecular Formula: C24H22F3N3O2
• Molecular Weight: 441.45 g/mol
• Exact Mass: 441.17
• IUPAC Name: 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclobutane-1-carboxamide
• SMILES: CN1CCC(NC(=O)C2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)C1=O
• InChI: InChI=1S/C24H22F3N3O2/c1-30-7-6-19(24(30)32)28-23(31)14-8-13(9-14)20-17-10-16(26)11-18(27)22(17)29-21(20)12-2-4-15(25)5-3-12/h2-5,10-11,13-14,19,29H,6-9H2,1H3,(H,28,31)
• InChIKey: ZRJOGZOMMZLXSF-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 65.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.45
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclobutane-1-carboxamide?

The IUPAC name of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclobutane-1-carboxamide (CID 166008573) is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclobutane-1-carboxamide.

What is the SMILES notation for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclobutane-1-carboxamide?

The canonical SMILES for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclobutane-1-carboxamide is CN1CCC(NC(=O)C2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)C1=O.

What is the InChIKey of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclobutane-1-carboxamide?

The InChIKey is ZRJOGZOMMZLXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c1-30-7-6-19(24(30)32)28-23(31)14-8-13(9-14)20-17-10-16(26)11-18(27)22(17)29-21(20)12-2-4-15(25)5-3-12/h2-5,10-11,13-14,19,29H,6-9H2,1H3,(H,28,31).

What are the key properties of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclobutane-1-carboxamide?

3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclobutane-1-carboxamide has a molecular weight of 441.45 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methyl-2-oxopyrrolidin-3-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 166008573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).