N-[2-(2,4-dimethoxyphenyl)ethyl]-1-ethyl-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

C25H28FN3O4 — CID 20915967

About N-[2-(2,4-dimethoxyphenyl)ethyl]-1-ethyl-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

N-[2-(2,4-dimethoxyphenyl)ethyl]-1-ethyl-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (PubChem CID 20915967) has the molecular formula C25H28FN3O4 and a molecular weight of 453.51 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxyphenyl)ethyl]-1-ethyl-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2,4-dimethoxyphenyl)ethyl]-1-ethyl-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
• PubChem CID: 20915967
• Molecular Formula: C25H28FN3O4
• Molecular Weight: 453.51 g/mol
• Exact Mass: 453.21
• IUPAC Name: N-[2-(2,4-dimethoxyphenyl)ethyl]-1-ethyl-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
• SMILES: CCn1c(C(=O)NCCc2ccc(OC)cc2OC)c(N2CCCC2=O)c2cc(F)ccc21
• InChI: InChI=1S/C25H28FN3O4/c1-4-28-20-10-8-17(26)14-19(20)23(29-13-5-6-22(29)30)24(28)25(31)27-12-11-16-7-9-18(32-2)15-21(16)33-3/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,27,31)
• InChIKey: SARMVIKCYXJXGZ-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 72.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.51
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-1-ethyl-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?

The IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-1-ethyl-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (CID 20915967) is N-[2-(2,4-dimethoxyphenyl)ethyl]-1-ethyl-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.

What is the SMILES notation for N-[2-(2,4-dimethoxyphenyl)ethyl]-1-ethyl-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?

The canonical SMILES for N-[2-(2,4-dimethoxyphenyl)ethyl]-1-ethyl-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is CCn1c(C(=O)NCCc2ccc(OC)cc2OC)c(N2CCCC2=O)c2cc(F)ccc21.

What is the InChIKey of N-[2-(2,4-dimethoxyphenyl)ethyl]-1-ethyl-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?

The InChIKey is SARMVIKCYXJXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O4/c1-4-28-20-10-8-17(26)14-19(20)23(29-13-5-6-22(29)30)24(28)25(31)27-12-11-16-7-9-18(32-2)15-21(16)33-3/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,27,31).

What are the key properties of N-[2-(2,4-dimethoxyphenyl)ethyl]-1-ethyl-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?

N-[2-(2,4-dimethoxyphenyl)ethyl]-1-ethyl-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide has a molecular weight of 453.51 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,4-dimethoxyphenyl)ethyl]-1-ethyl-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is sourced from PubChem (CID 20915967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).