2-[(2R)-3-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide

C25H21F3N4O4 — CID 2491092

About 2-[(2R)-3-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide

2-[(2R)-3-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide (PubChem CID 2491092) has the molecular formula C25H21F3N4O4 and a molecular weight of 498.46 g/mol. Its IUPAC name is 2-[(2R)-3-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide.

Molecular Properties

• Compound Name: 2-[(2R)-3-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
• PubChem CID: 2491092
• Molecular Formula: C25H21F3N4O4
• Molecular Weight: 498.46 g/mol
• Exact Mass: 498.15
• IUPAC Name: 2-[(2R)-3-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
• SMILES: O=C(C[C@@H]1C(=O)Nc2ccccc2N1CC(=O)Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1
• InChI: InChI=1S/C25H21F3N4O4/c26-25(27,28)36-18-12-10-17(11-13-18)30-23(34)15-32-20-9-5-4-8-19(20)31-24(35)21(32)14-22(33)29-16-6-2-1-3-7-16/h1-13,21H,14-15H2,(H,29,33)(H,30,34)(H,31,35)/t21-/m1/s1
• InChIKey: VVOQDJOHPIFLFP-OAQYLSRUSA-N
• XLogP: 4.38
• TPSA: 99.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.46
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide?

The IUPAC name of 2-[(2R)-3-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide (CID 2491092) is 2-[(2R)-3-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide.

What is the SMILES notation for 2-[(2R)-3-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide?

The canonical SMILES for 2-[(2R)-3-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide is O=C(C[C@@H]1C(=O)Nc2ccccc2N1CC(=O)Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1.

What is the InChIKey of 2-[(2R)-3-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide?

The InChIKey is VVOQDJOHPIFLFP-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H21F3N4O4/c26-25(27,28)36-18-12-10-17(11-13-18)30-23(34)15-32-20-9-5-4-8-19(20)31-24(35)21(32)14-22(33)29-16-6-2-1-3-7-16/h1-13,21H,14-15H2,(H,29,33)(H,30,34)(H,31,35)/t21-/m1/s1.

What are the key properties of 2-[(2R)-3-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide?

2-[(2R)-3-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide has a molecular weight of 498.46 g/mol, XLogP of 4.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-3-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide is sourced from PubChem (CID 2491092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).