N-(2,4-difluorophenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide

C23H15F2N5O3 — CID 53028565

About N-(2,4-difluorophenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide

N-(2,4-difluorophenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide (PubChem CID 53028565) has the molecular formula C23H15F2N5O3 and a molecular weight of 447.40 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide.

Molecular Properties

• Compound Name: N-(2,4-difluorophenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
• PubChem CID: 53028565
• Molecular Formula: C23H15F2N5O3
• Molecular Weight: 447.40 g/mol
• Exact Mass: 447.11
• IUPAC Name: N-(2,4-difluorophenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
• SMILES: O=C(Cn1nc2c(Oc3ccccc3)nc3ccccc3n2c1=O)Nc1ccc(F)cc1F
• InChI: InChI=1S/C23H15F2N5O3/c24-14-10-11-17(16(25)12-14)26-20(31)13-29-23(32)30-19-9-5-4-8-18(19)27-22(21(30)28-29)33-15-6-2-1-3-7-15/h1-12H,13H2,(H,26,31)
• InChIKey: KYZGDFCDHUYYFF-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.40
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?

The IUPAC name of N-(2,4-difluorophenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide (CID 53028565) is N-(2,4-difluorophenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide.

What is the SMILES notation for N-(2,4-difluorophenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?

The canonical SMILES for N-(2,4-difluorophenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide is O=C(Cn1nc2c(Oc3ccccc3)nc3ccccc3n2c1=O)Nc1ccc(F)cc1F.

What is the InChIKey of N-(2,4-difluorophenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?

The InChIKey is KYZGDFCDHUYYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N5O3/c24-14-10-11-17(16(25)12-14)26-20(31)13-29-23(32)30-19-9-5-4-8-18(19)27-22(21(30)28-29)33-15-6-2-1-3-7-15/h1-12H,13H2,(H,26,31).

What are the key properties of N-(2,4-difluorophenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?

N-(2,4-difluorophenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide has a molecular weight of 447.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-difluorophenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide is sourced from PubChem (CID 53028565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).