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

C24H25F3N2O3 — CID 166008637

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

3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-(2,3-dihydroxy-2-methylpropyl)cyclobutane-1-carboxamide (PubChem CID 166008637) has the molecular formula C24H25F3N2O3 and a molecular weight of 446.47 g/mol. Its IUPAC name is 3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-(2,3-dihydroxy-2-methylpropyl)cyclobutane-1-carboxamide.

Molecular Properties

• Compound Name: 3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-(2,3-dihydroxy-2-methylpropyl)cyclobutane-1-carboxamide
• PubChem CID: 166008637
• Molecular Formula: C24H25F3N2O3
• Molecular Weight: 446.47 g/mol
• Exact Mass: 446.18
• IUPAC Name: 3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-(2,3-dihydroxy-2-methylpropyl)cyclobutane-1-carboxamide
• SMILES: CC(O)(CO)CNC(=O)C1CC(Cc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
• InChI: InChI=1S/C24H25F3N2O3/c1-24(32,12-30)11-28-23(31)15-6-13(7-15)8-18-19-9-17(26)10-20(27)22(19)29-21(18)14-2-4-16(25)5-3-14/h2-5,9-10,13,15,29-30,32H,6-8,11-12H2,1H3,(H,28,31)
• InChIKey: QJXKUMFRVJTYAR-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 85.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.47
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-(2,3-dihydroxy-2-methylpropyl)cyclobutane-1-carboxamide?

The IUPAC name of 3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-(2,3-dihydroxy-2-methylpropyl)cyclobutane-1-carboxamide (CID 166008637) is 3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-(2,3-dihydroxy-2-methylpropyl)cyclobutane-1-carboxamide.

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

The canonical SMILES for 3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-(2,3-dihydroxy-2-methylpropyl)cyclobutane-1-carboxamide is CC(O)(CO)CNC(=O)C1CC(Cc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1.

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

The InChIKey is QJXKUMFRVJTYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O3/c1-24(32,12-30)11-28-23(31)15-6-13(7-15)8-18-19-9-17(26)10-20(27)22(19)29-21(18)14-2-4-16(25)5-3-14/h2-5,9-10,13,15,29-30,32H,6-8,11-12H2,1H3,(H,28,31).

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

3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-(2,3-dihydroxy-2-methylpropyl)cyclobutane-1-carboxamide has a molecular weight of 446.47 g/mol, XLogP of 3.68, 7 rotatable bonds, 4 hydrogen bond donors, and 3 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-dihydroxy-2-methylpropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 166008637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).