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

C23H21ClN4O3 — CID 95089809

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

N-[(2-chlorophenyl)methyl]-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide (PubChem CID 95089809) has the molecular formula C23H21ClN4O3 and a molecular weight of 436.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
• PubChem CID: 95089809
• Molecular Formula: C23H21ClN4O3
• Molecular Weight: 436.90 g/mol
• Exact Mass: 436.13
• IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
• SMILES: C[C@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(CC(=O)NCc2ccccc2Cl)n1
• InChI: InChI=1S/C23H21ClN4O3/c1-15-12-16-6-3-5-9-20(16)28(15)23(31)19-10-11-22(30)27(26-19)14-21(29)25-13-17-7-2-4-8-18(17)24/h2-11,15H,12-14H2,1H3,(H,25,29)/t15-/m0/s1
• InChIKey: ULLXAYRTVZOCLV-HNNXBMFYSA-N
• XLogP: 2.80
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.90
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide (CID 95089809) is N-[(2-chlorophenyl)methyl]-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide.

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

The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide is C[C@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(CC(=O)NCc2ccccc2Cl)n1.

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

The InChIKey is ULLXAYRTVZOCLV-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H21ClN4O3/c1-15-12-16-6-3-5-9-20(16)28(15)23(31)19-10-11-22(30)27(26-19)14-21(29)25-13-17-7-2-4-8-18(17)24/h2-11,15H,12-14H2,1H3,(H,25,29)/t15-/m0/s1.

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

N-[(2-chlorophenyl)methyl]-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide has a molecular weight of 436.90 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 95089809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).