N-(2-ethyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide

C22H16F5N3O — CID 123608733

About N-(2-ethyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide

N-(2-ethyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide (PubChem CID 123608733) has the molecular formula C22H16F5N3O and a molecular weight of 433.38 g/mol. Its IUPAC name is N-(2-ethyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide.

Molecular Properties

• Compound Name: N-(2-ethyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
• PubChem CID: 123608733
• Molecular Formula: C22H16F5N3O
• Molecular Weight: 433.38 g/mol
• Exact Mass: 433.12
• IUPAC Name: N-(2-ethyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
• SMILES: CCc1nc2c(nc1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)CCc1ccccc1-2
• InChI: InChI=1S/C22H16F5N3O/c1-2-13-22(29-14-8-7-10-5-3-4-6-11(10)21(14)28-13)30-15(31)9-12-16(23)18(25)20(27)19(26)17(12)24/h3-6H,2,7-9H2,1H3,(H,29,30,31)
• InChIKey: CEXLTOPSBNTHJI-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.38
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide?

The IUPAC name of N-(2-ethyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide (CID 123608733) is N-(2-ethyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide.

What is the SMILES notation for N-(2-ethyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide?

The canonical SMILES for N-(2-ethyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide is CCc1nc2c(nc1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)CCc1ccccc1-2.

What is the InChIKey of N-(2-ethyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide?

The InChIKey is CEXLTOPSBNTHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F5N3O/c1-2-13-22(29-14-8-7-10-5-3-4-6-11(10)21(14)28-13)30-15(31)9-12-16(23)18(25)20(27)19(26)17(12)24/h3-6H,2,7-9H2,1H3,(H,29,30,31).

What are the key properties of N-(2-ethyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide?

N-(2-ethyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide has a molecular weight of 433.38 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-ethyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide is sourced from PubChem (CID 123608733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).