N-[1-(3-bromo-2-pyridinyl)-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide

C24H21BrFN3O2 — CID 148787953

About N-[1-(3-bromo-2-pyridinyl)-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide

N-[1-(3-bromo-2-pyridinyl)-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide (PubChem CID 148787953) has the molecular formula C24H21BrFN3O2 and a molecular weight of 482.35 g/mol. Its IUPAC name is N-[1-(3-bromo-2-pyridinyl)-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[1-(3-bromo-2-pyridinyl)-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
• PubChem CID: 148787953
• Molecular Formula: C24H21BrFN3O2
• Molecular Weight: 482.35 g/mol
• Exact Mass: 481.08
• IUPAC Name: N-[1-(3-bromo-2-pyridinyl)-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
• SMILES: Cc1cc(F)cc(CC(NC(=O)Cc2c[nH]c3ccc(O)cc23)c2ncccc2Br)c1
• InChI: InChI=1S/C24H21BrFN3O2/c1-14-7-15(9-17(26)8-14)10-22(24-20(25)3-2-6-27-24)29-23(31)11-16-13-28-21-5-4-18(30)12-19(16)21/h2-9,12-13,22,28,30H,10-11H2,1H3,(H,29,31)
• InChIKey: OLPHPVVSJKBWRD-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 78.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.35
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-2-pyridinyl)-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?

The IUPAC name of N-[1-(3-bromo-2-pyridinyl)-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide (CID 148787953) is N-[1-(3-bromo-2-pyridinyl)-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide.

What is the SMILES notation for N-[1-(3-bromo-2-pyridinyl)-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?

The canonical SMILES for N-[1-(3-bromo-2-pyridinyl)-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide is Cc1cc(F)cc(CC(NC(=O)Cc2c[nH]c3ccc(O)cc23)c2ncccc2Br)c1.

What is the InChIKey of N-[1-(3-bromo-2-pyridinyl)-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?

The InChIKey is OLPHPVVSJKBWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrFN3O2/c1-14-7-15(9-17(26)8-14)10-22(24-20(25)3-2-6-27-24)29-23(31)11-16-13-28-21-5-4-18(30)12-19(16)21/h2-9,12-13,22,28,30H,10-11H2,1H3,(H,29,31).

What are the key properties of N-[1-(3-bromo-2-pyridinyl)-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?

N-[1-(3-bromo-2-pyridinyl)-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide has a molecular weight of 482.35 g/mol, XLogP of 5.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-bromo-2-pyridinyl)-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 148787953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).