2,4-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide

C16H15F2N3O2 — CID 122280389

About 2,4-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide

2,4-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide (PubChem CID 122280389) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide.

Molecular Properties

• Compound Name: 2,4-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
• PubChem CID: 122280389
• Molecular Formula: C16H15F2N3O2
• Molecular Weight: 319.31 g/mol
• Exact Mass: 319.11
• IUPAC Name: 2,4-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
• SMILES: O=C(NCCn1nc2c(cc1=O)CCC2)c1ccc(F)cc1F
• InChI: InChI=1S/C16H15F2N3O2/c17-11-4-5-12(13(18)9-11)16(23)19-6-7-21-15(22)8-10-2-1-3-14(10)20-21/h4-5,8-9H,1-3,6-7H2,(H,19,23)
• InChIKey: VFWQDXIFJFQRKE-UHFFFAOYSA-N
• XLogP: 1.44
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.31
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide?

The IUPAC name of 2,4-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide (CID 122280389) is 2,4-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide.

What is the SMILES notation for 2,4-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide?

The canonical SMILES for 2,4-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide is O=C(NCCn1nc2c(cc1=O)CCC2)c1ccc(F)cc1F.

What is the InChIKey of 2,4-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide?

The InChIKey is VFWQDXIFJFQRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c17-11-4-5-12(13(18)9-11)16(23)19-6-7-21-15(22)8-10-2-1-3-14(10)20-21/h4-5,8-9H,1-3,6-7H2,(H,19,23).

What are the key properties of 2,4-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide?

2,4-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide has a molecular weight of 319.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide is sourced from PubChem (CID 122280389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).