N-[1-[4-(2,6-difluorophenoxy)-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-methyl-2-oxopyrrolidin-3-yl]-4-methoxy-1H-indole-2-carboxamide

C29H30F2N4O6 — CID 163226856

About N-[1-[4-(2,6-difluorophenoxy)-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-methyl-2-oxopyrrolidin-3-yl]-4-methoxy-1H-indole-2-carboxamide

N-[1-[4-(2,6-difluorophenoxy)-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-methyl-2-oxopyrrolidin-3-yl]-4-methoxy-1H-indole-2-carboxamide (PubChem CID 163226856) has the molecular formula C29H30F2N4O6 and a molecular weight of 568.58 g/mol. Its IUPAC name is N-[1-[4-(2,6-difluorophenoxy)-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-methyl-2-oxopyrrolidin-3-yl]-4-methoxy-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[4-(2,6-difluorophenoxy)-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-methyl-2-oxopyrrolidin-3-yl]-4-methoxy-1H-indole-2-carboxamide
• PubChem CID: 163226856
• Molecular Formula: C29H30F2N4O6
• Molecular Weight: 568.58 g/mol
• Exact Mass: 568.21
• IUPAC Name: N-[1-[4-(2,6-difluorophenoxy)-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-methyl-2-oxopyrrolidin-3-yl]-4-methoxy-1H-indole-2-carboxamide
• SMILES: COc1cccc2[nH]c(C(=O)NC3CC(C)N(C(CC4CCNC4=O)C(=O)COc4c(F)cccc4F)C3=O)cc12
• InChI: InChI=1S/C29H30F2N4O6/c1-15-11-22(34-28(38)21-13-17-20(33-21)7-4-8-25(17)40-2)29(39)35(15)23(12-16-9-10-32-27(16)37)24(36)14-41-26-18(30)5-3-6-19(26)31/h3-8,13,15-16,22-23,33H,9-12,14H2,1-2H3,(H,32,37)(H,34,38)
• InChIKey: LPPGBLOONHBWSF-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 129.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.58
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2,6-difluorophenoxy)-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-methyl-2-oxopyrrolidin-3-yl]-4-methoxy-1H-indole-2-carboxamide?

The IUPAC name of N-[1-[4-(2,6-difluorophenoxy)-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-methyl-2-oxopyrrolidin-3-yl]-4-methoxy-1H-indole-2-carboxamide (CID 163226856) is N-[1-[4-(2,6-difluorophenoxy)-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-methyl-2-oxopyrrolidin-3-yl]-4-methoxy-1H-indole-2-carboxamide.

What is the SMILES notation for N-[1-[4-(2,6-difluorophenoxy)-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-methyl-2-oxopyrrolidin-3-yl]-4-methoxy-1H-indole-2-carboxamide?

The canonical SMILES for N-[1-[4-(2,6-difluorophenoxy)-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-methyl-2-oxopyrrolidin-3-yl]-4-methoxy-1H-indole-2-carboxamide is COc1cccc2[nH]c(C(=O)NC3CC(C)N(C(CC4CCNC4=O)C(=O)COc4c(F)cccc4F)C3=O)cc12.

What is the InChIKey of N-[1-[4-(2,6-difluorophenoxy)-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-methyl-2-oxopyrrolidin-3-yl]-4-methoxy-1H-indole-2-carboxamide?

The InChIKey is LPPGBLOONHBWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2N4O6/c1-15-11-22(34-28(38)21-13-17-20(33-21)7-4-8-25(17)40-2)29(39)35(15)23(12-16-9-10-32-27(16)37)24(36)14-41-26-18(30)5-3-6-19(26)31/h3-8,13,15-16,22-23,33H,9-12,14H2,1-2H3,(H,32,37)(H,34,38).

What are the key properties of N-[1-[4-(2,6-difluorophenoxy)-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-methyl-2-oxopyrrolidin-3-yl]-4-methoxy-1H-indole-2-carboxamide?

N-[1-[4-(2,6-difluorophenoxy)-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-methyl-2-oxopyrrolidin-3-yl]-4-methoxy-1H-indole-2-carboxamide has a molecular weight of 568.58 g/mol, XLogP of 2.72, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-(2,6-difluorophenoxy)-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-methyl-2-oxopyrrolidin-3-yl]-4-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 163226856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).