N-[(4-bromophenyl)methyl]-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide

C17H18BrN3O2 — CID 122280331

About N-[(4-bromophenyl)methyl]-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide

N-[(4-bromophenyl)methyl]-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (PubChem CID 122280331) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.

Molecular Properties

• Compound Name: N-[(4-bromophenyl)methyl]-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
• PubChem CID: 122280331
• Molecular Formula: C17H18BrN3O2
• Molecular Weight: 376.25 g/mol
• Exact Mass: 375.06
• IUPAC Name: N-[(4-bromophenyl)methyl]-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
• SMILES: CC(C(=O)NCc1ccc(Br)cc1)n1nc2c(cc1=O)CCC2
• InChI: InChI=1S/C17H18BrN3O2/c1-11(17(23)19-10-12-5-7-14(18)8-6-12)21-16(22)9-13-3-2-4-15(13)20-21/h5-9,11H,2-4,10H2,1H3,(H,19,23)
• InChIKey: LPZCGPRSLRBNOV-UHFFFAOYSA-N
• XLogP: 2.37
• 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	376.25
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(4-bromophenyl)methyl]-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (CID 122280331) is N-[(4-bromophenyl)methyl]-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.

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

The canonical SMILES for N-[(4-bromophenyl)methyl]-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is CC(C(=O)NCc1ccc(Br)cc1)n1nc2c(cc1=O)CCC2.

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

The InChIKey is LPZCGPRSLRBNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c1-11(17(23)19-10-12-5-7-14(18)8-6-12)21-16(22)9-13-3-2-4-15(13)20-21/h5-9,11H,2-4,10H2,1H3,(H,19,23).

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

N-[(4-bromophenyl)methyl]-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide has a molecular weight of 376.25 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-bromophenyl)methyl]-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is sourced from PubChem (CID 122280331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).