N-(3-bromophenyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide

C22H19BrN4O3 — CID 53121723

About N-(3-bromophenyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide

N-(3-bromophenyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 53121723) has the molecular formula C22H19BrN4O3 and a molecular weight of 467.32 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-bromophenyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide
• PubChem CID: 53121723
• Molecular Formula: C22H19BrN4O3
• Molecular Weight: 467.32 g/mol
• Exact Mass: 466.06
• IUPAC Name: N-(3-bromophenyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide
• SMILES: CC1Cc2ccccc2N1C(=O)c1ccc(=O)n(CC(=O)Nc2cccc(Br)c2)n1
• InChI: InChI=1S/C22H19BrN4O3/c1-14-11-15-5-2-3-8-19(15)27(14)22(30)18-9-10-21(29)26(25-18)13-20(28)24-17-7-4-6-16(23)12-17/h2-10,12,14H,11,13H2,1H3,(H,24,28)
• InChIKey: GSNGFBAIJSTZJZ-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.32
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide?

The IUPAC name of N-(3-bromophenyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide (CID 53121723) is N-(3-bromophenyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide.

What is the SMILES notation for N-(3-bromophenyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide?

The canonical SMILES for N-(3-bromophenyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide is CC1Cc2ccccc2N1C(=O)c1ccc(=O)n(CC(=O)Nc2cccc(Br)c2)n1.

What is the InChIKey of N-(3-bromophenyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide?

The InChIKey is GSNGFBAIJSTZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4O3/c1-14-11-15-5-2-3-8-19(15)27(14)22(30)18-9-10-21(29)26(25-18)13-20(28)24-17-7-4-6-16(23)12-17/h2-10,12,14H,11,13H2,1H3,(H,24,28).

What are the key properties of N-(3-bromophenyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide?

N-(3-bromophenyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 467.32 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-bromophenyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 53121723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).