N-(4-chlorophenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide

C22H19ClN4O3 — CID 95089852

About N-(4-chlorophenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide

N-(4-chlorophenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide (PubChem CID 95089852) has the molecular formula C22H19ClN4O3 and a molecular weight of 422.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
• PubChem CID: 95089852
• Molecular Formula: C22H19ClN4O3
• Molecular Weight: 422.87 g/mol
• Exact Mass: 422.11
• IUPAC Name: N-(4-chlorophenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
• SMILES: C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(CC(=O)Nc2ccc(Cl)cc2)n1
• InChI: InChI=1S/C22H19ClN4O3/c1-14-12-15-4-2-3-5-19(15)27(14)22(30)18-10-11-21(29)26(25-18)13-20(28)24-17-8-6-16(23)7-9-17/h2-11,14H,12-13H2,1H3,(H,24,28)/t14-/m1/s1
• InChIKey: LZMPAVBZHFOYRU-CQSZACIVSA-N
• XLogP: 3.13
• 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	422.87
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide?

The IUPAC name of N-(4-chlorophenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide (CID 95089852) is N-(4-chlorophenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide.

What is the SMILES notation for N-(4-chlorophenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide?

The canonical SMILES for N-(4-chlorophenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide is C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(CC(=O)Nc2ccc(Cl)cc2)n1.

What is the InChIKey of N-(4-chlorophenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide?

The InChIKey is LZMPAVBZHFOYRU-CQSZACIVSA-N. The full InChI is InChI=1S/C22H19ClN4O3/c1-14-12-15-4-2-3-5-19(15)27(14)22(30)18-10-11-21(29)26(25-18)13-20(28)24-17-8-6-16(23)7-9-17/h2-11,14H,12-13H2,1H3,(H,24,28)/t14-/m1/s1.

What are the key properties of N-(4-chlorophenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide?

N-(4-chlorophenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide has a molecular weight of 422.87 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 95089852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).