N-(8-fluoro-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide

C21H13F6N3O — CID 123368208

About N-(8-fluoro-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide

N-(8-fluoro-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide (PubChem CID 123368208) has the molecular formula C21H13F6N3O and a molecular weight of 437.34 g/mol. Its IUPAC name is N-(8-fluoro-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide.

Molecular Properties

• Compound Name: N-(8-fluoro-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
• PubChem CID: 123368208
• Molecular Formula: C21H13F6N3O
• Molecular Weight: 437.34 g/mol
• Exact Mass: 437.10
• IUPAC Name: N-(8-fluoro-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
• SMILES: Cc1nc2c(nc1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)CCc1cc(F)ccc1-2
• InChI: InChI=1S/C21H13F6N3O/c1-8-21(29-13-5-2-9-6-10(22)3-4-11(9)20(13)28-8)30-14(31)7-12-15(23)17(25)19(27)18(26)16(12)24/h3-4,6H,2,5,7H2,1H3,(H,29,30,31)
• InChIKey: LVURJEZPLXCIGQ-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.34
LogP ≤ 5	4.57
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-(8-fluoro-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide?

The IUPAC name of N-(8-fluoro-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide (CID 123368208) is N-(8-fluoro-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide.

What is the SMILES notation for N-(8-fluoro-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide?

The canonical SMILES for N-(8-fluoro-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide is Cc1nc2c(nc1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)CCc1cc(F)ccc1-2.

What is the InChIKey of N-(8-fluoro-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide?

The InChIKey is LVURJEZPLXCIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F6N3O/c1-8-21(29-13-5-2-9-6-10(22)3-4-11(9)20(13)28-8)30-14(31)7-12-15(23)17(25)19(27)18(26)16(12)24/h3-4,6H,2,5,7H2,1H3,(H,29,30,31).

What are the key properties of N-(8-fluoro-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide?

N-(8-fluoro-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide has a molecular weight of 437.34 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(8-fluoro-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide is sourced from PubChem (CID 123368208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).