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

C27H28F3N3O2 — CID 166687193

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

3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-[2-(3-methyl-2-oxopyrrolidin-3-yl)ethyl]cyclobutane-1-carboxamide (PubChem CID 166687193) has the molecular formula C27H28F3N3O2 and a molecular weight of 483.53 g/mol. Its IUPAC name is 3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-[2-(3-methyl-2-oxopyrrolidin-3-yl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

• Compound Name: 3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-[2-(3-methyl-2-oxopyrrolidin-3-yl)ethyl]cyclobutane-1-carboxamide
• PubChem CID: 166687193
• Molecular Formula: C27H28F3N3O2
• Molecular Weight: 483.53 g/mol
• Exact Mass: 483.21
• IUPAC Name: 3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-[2-(3-methyl-2-oxopyrrolidin-3-yl)ethyl]cyclobutane-1-carboxamide
• SMILES: CC1(CCNC(=O)C2CC(Cc3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)CCNC1=O
• InChI: InChI=1S/C27H28F3N3O2/c1-27(7-9-32-26(27)35)6-8-31-25(34)17-10-15(11-17)12-20-21-13-19(29)14-22(30)24(21)33-23(20)16-2-4-18(28)5-3-16/h2-5,13-15,17,33H,6-12H2,1H3,(H,31,34)(H,32,35)
• InChIKey: QLYQFBSRLWFGLS-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 73.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.53
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	3
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]methyl]-N-[2-(3-methyl-2-oxopyrrolidin-3-yl)ethyl]cyclobutane-1-carboxamide?

The IUPAC name of 3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-[2-(3-methyl-2-oxopyrrolidin-3-yl)ethyl]cyclobutane-1-carboxamide (CID 166687193) is 3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-[2-(3-methyl-2-oxopyrrolidin-3-yl)ethyl]cyclobutane-1-carboxamide.

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

The canonical SMILES for 3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-[2-(3-methyl-2-oxopyrrolidin-3-yl)ethyl]cyclobutane-1-carboxamide is CC1(CCNC(=O)C2CC(Cc3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)CCNC1=O.

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

The InChIKey is QLYQFBSRLWFGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N3O2/c1-27(7-9-32-26(27)35)6-8-31-25(34)17-10-15(11-17)12-20-21-13-19(29)14-22(30)24(21)33-23(20)16-2-4-18(28)5-3-16/h2-5,13-15,17,33H,6-12H2,1H3,(H,31,34)(H,32,35).

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

3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-[2-(3-methyl-2-oxopyrrolidin-3-yl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 4.85, 7 rotatable bonds, 3 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]methyl]-N-[2-(3-methyl-2-oxopyrrolidin-3-yl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 166687193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).