N-(5-chloro-2-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide

C18H20ClN3O3 — CID 75466080

About N-(5-chloro-2-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide (PubChem CID 75466080) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
• PubChem CID: 75466080
• Molecular Formula: C18H20ClN3O3
• Molecular Weight: 361.83 g/mol
• Exact Mass: 361.12
• IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
• SMILES: COc1ccc(Cl)cc1NC(=O)Cn1nc2c(cc1=O)CCCCC2
• InChI: InChI=1S/C18H20ClN3O3/c1-25-16-8-7-13(19)10-15(16)20-17(23)11-22-18(24)9-12-5-3-2-4-6-14(12)21-22/h7-10H,2-6,11H2,1H3,(H,20,23)
• InChIKey: JFIAXOWNNYVAMC-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.83
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?

The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide (CID 75466080) is N-(5-chloro-2-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide.

What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?

The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide is COc1ccc(Cl)cc1NC(=O)Cn1nc2c(cc1=O)CCCCC2.

What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?

The InChIKey is JFIAXOWNNYVAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-25-16-8-7-13(19)10-15(16)20-17(23)11-22-18(24)9-12-5-3-2-4-6-14(12)21-22/h7-10H,2-6,11H2,1H3,(H,20,23).

What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?

N-(5-chloro-2-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide has a molecular weight of 361.83 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide is sourced from PubChem (CID 75466080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).