2-(2-chlorophenoxy)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]propanamide

C18H20ClN3O3 — CID 122280502

About 2-(2-chlorophenoxy)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]propanamide

2-(2-chlorophenoxy)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]propanamide (PubChem CID 122280502) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: 2-(2-chlorophenoxy)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]propanamide
• PubChem CID: 122280502
• Molecular Formula: C18H20ClN3O3
• Molecular Weight: 361.83 g/mol
• Exact Mass: 361.12
• IUPAC Name: 2-(2-chlorophenoxy)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]propanamide
• SMILES: CC(Oc1ccccc1Cl)C(=O)NCCn1nc2c(cc1=O)CCC2
• InChI: InChI=1S/C18H20ClN3O3/c1-12(25-16-8-3-2-6-14(16)19)18(24)20-9-10-22-17(23)11-13-5-4-7-15(13)21-22/h2-3,6,8,11-12H,4-5,7,9-10H2,1H3,(H,20,24)
• InChIKey: GHNANYHIBGEEEG-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.83
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]propanamide?

The IUPAC name of 2-(2-chlorophenoxy)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]propanamide (CID 122280502) is 2-(2-chlorophenoxy)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]propanamide.

What is the SMILES notation for 2-(2-chlorophenoxy)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]propanamide?

The canonical SMILES for 2-(2-chlorophenoxy)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]propanamide is CC(Oc1ccccc1Cl)C(=O)NCCn1nc2c(cc1=O)CCC2.

What is the InChIKey of 2-(2-chlorophenoxy)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]propanamide?

The InChIKey is GHNANYHIBGEEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-12(25-16-8-3-2-6-14(16)19)18(24)20-9-10-22-17(23)11-13-5-4-7-15(13)21-22/h2-3,6,8,11-12H,4-5,7,9-10H2,1H3,(H,20,24).

What are the key properties of 2-(2-chlorophenoxy)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]propanamide?

2-(2-chlorophenoxy)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]propanamide has a molecular weight of 361.83 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenoxy)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]propanamide is sourced from PubChem (CID 122280502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).