2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[1-(hydroxymethyl)cyclobutyl]acetamide

C25H25F3N2O2 — CID 156816144

About 2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[1-(hydroxymethyl)cyclobutyl]acetamide

2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[1-(hydroxymethyl)cyclobutyl]acetamide (PubChem CID 156816144) has the molecular formula C25H25F3N2O2 and a molecular weight of 442.48 g/mol. Its IUPAC name is 2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[1-(hydroxymethyl)cyclobutyl]acetamide.

Molecular Properties

• Compound Name: 2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[1-(hydroxymethyl)cyclobutyl]acetamide
• PubChem CID: 156816144
• Molecular Formula: C25H25F3N2O2
• Molecular Weight: 442.48 g/mol
• Exact Mass: 442.19
• IUPAC Name: 2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[1-(hydroxymethyl)cyclobutyl]acetamide
• SMILES: O=C(CC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)NC1(CO)CCC1
• InChI: InChI=1S/C25H25F3N2O2/c26-17-4-2-15(3-5-17)23-22(19-11-18(27)12-20(28)24(19)29-23)16-8-14(9-16)10-21(32)30-25(13-31)6-1-7-25/h2-5,11-12,14,16,29,31H,1,6-10,13H2,(H,30,32)
• InChIKey: NYGXQZPYOJQSFW-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 65.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.48
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[1-(hydroxymethyl)cyclobutyl]acetamide?

The IUPAC name of 2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[1-(hydroxymethyl)cyclobutyl]acetamide (CID 156816144) is 2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[1-(hydroxymethyl)cyclobutyl]acetamide.

What is the SMILES notation for 2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[1-(hydroxymethyl)cyclobutyl]acetamide?

The canonical SMILES for 2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[1-(hydroxymethyl)cyclobutyl]acetamide is O=C(CC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)NC1(CO)CCC1.

What is the InChIKey of 2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[1-(hydroxymethyl)cyclobutyl]acetamide?

The InChIKey is NYGXQZPYOJQSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O2/c26-17-4-2-15(3-5-17)23-22(19-11-18(27)12-20(28)24(19)29-23)16-8-14(9-16)10-21(32)30-25(13-31)6-1-7-25/h2-5,11-12,14,16,29,31H,1,6-10,13H2,(H,30,32).

What are the key properties of 2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[1-(hydroxymethyl)cyclobutyl]acetamide?

2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[1-(hydroxymethyl)cyclobutyl]acetamide has a molecular weight of 442.48 g/mol, XLogP of 5.17, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[1-(hydroxymethyl)cyclobutyl]acetamide is sourced from PubChem (CID 156816144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).