2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(1-phenylethyl)acetamide

C24H23ClN2O2 — CID 4187322

About 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(1-phenylethyl)acetamide

2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(1-phenylethyl)acetamide (PubChem CID 4187322) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(1-phenylethyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(1-phenylethyl)acetamide
• PubChem CID: 4187322
• Molecular Formula: C24H23ClN2O2
• Molecular Weight: 406.91 g/mol
• Exact Mass: 406.14
• IUPAC Name: 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(1-phenylethyl)acetamide
• SMILES: CC(NC(=O)Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)c1ccccc1
• InChI: InChI=1S/C24H23ClN2O2/c1-16(17-8-3-2-4-9-17)26-23(28)15-27-22-13-7-11-19(22)20(14-24(27)29)18-10-5-6-12-21(18)25/h2-6,8-10,12,14,16H,7,11,13,15H2,1H3,(H,26,28)
• InChIKey: DQAXUQYGCLZVBL-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 51.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.91
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(1-phenylethyl)acetamide?

The IUPAC name of 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(1-phenylethyl)acetamide (CID 4187322) is 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(1-phenylethyl)acetamide.

What is the SMILES notation for 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(1-phenylethyl)acetamide?

The canonical SMILES for 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(1-phenylethyl)acetamide is CC(NC(=O)Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)c1ccccc1.

What is the InChIKey of 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(1-phenylethyl)acetamide?

The InChIKey is DQAXUQYGCLZVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2/c1-16(17-8-3-2-4-9-17)26-23(28)15-27-22-13-7-11-19(22)20(14-24(27)29)18-10-5-6-12-21(18)25/h2-6,8-10,12,14,16H,7,11,13,15H2,1H3,(H,26,28).

What are the key properties of 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(1-phenylethyl)acetamide?

2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(1-phenylethyl)acetamide has a molecular weight of 406.91 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 4187322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).