N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

C24H26FN3O4 — CID 46277068

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (PubChem CID 46277068) has the molecular formula C24H26FN3O4 and a molecular weight of 439.49 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
• PubChem CID: 46277068
• Molecular Formula: C24H26FN3O4
• Molecular Weight: 439.49 g/mol
• Exact Mass: 439.19
• IUPAC Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
• SMILES: CCOc1ccc(CNC(=O)c2c(N3CCCC3=O)c3cc(F)ccc3n2C)cc1OC
• InChI: InChI=1S/C24H26FN3O4/c1-4-32-19-10-7-15(12-20(19)31-3)14-26-24(30)23-22(28-11-5-6-21(28)29)17-13-16(25)8-9-18(17)27(23)2/h7-10,12-13H,4-6,11,14H2,1-3H3,(H,26,30)
• InChIKey: GVZDNKATNDQYFT-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 72.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.49
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?

The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (CID 46277068) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.

What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?

The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is CCOc1ccc(CNC(=O)c2c(N3CCCC3=O)c3cc(F)ccc3n2C)cc1OC.

What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?

The InChIKey is GVZDNKATNDQYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O4/c1-4-32-19-10-7-15(12-20(19)31-3)14-26-24(30)23-22(28-11-5-6-21(28)29)17-13-16(25)8-9-18(17)27(23)2/h7-10,12-13H,4-6,11,14H2,1-3H3,(H,26,30).

What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?

N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide has a molecular weight of 439.49 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is sourced from PubChem (CID 46277068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).