3-chloro-N-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-2-(trifluoromethyl)benzamide

C26H17ClF5N3O4 — CID 151533168

About 3-chloro-N-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-2-(trifluoromethyl)benzamide

3-chloro-N-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-2-(trifluoromethyl)benzamide (PubChem CID 151533168) has the molecular formula C26H17ClF5N3O4 and a molecular weight of 565.88 g/mol. Its IUPAC name is 3-chloro-N-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 3-chloro-N-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-2-(trifluoromethyl)benzamide
• PubChem CID: 151533168
• Molecular Formula: C26H17ClF5N3O4
• Molecular Weight: 565.88 g/mol
• Exact Mass: 565.08
• IUPAC Name: 3-chloro-N-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-2-(trifluoromethyl)benzamide
• SMILES: COCCOc1cnc2ccc(C(=O)c3c(F)ccc(NC(=O)c4cccc(Cl)c4C(F)(F)F)c3F)cc2n1
• InChI: InChI=1S/C26H17ClF5N3O4/c1-38-9-10-39-20-12-33-17-7-5-13(11-19(17)34-20)24(36)21-16(28)6-8-18(23(21)29)35-25(37)14-3-2-4-15(27)22(14)26(30,31)32/h2-8,11-12H,9-10H2,1H3,(H,35,37)
• InChIKey: PWXDIAGIQLZXNL-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 90.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.88
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-2-(trifluoromethyl)benzamide?

The IUPAC name of 3-chloro-N-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-2-(trifluoromethyl)benzamide (CID 151533168) is 3-chloro-N-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-2-(trifluoromethyl)benzamide.

What is the SMILES notation for 3-chloro-N-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-2-(trifluoromethyl)benzamide?

The canonical SMILES for 3-chloro-N-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-2-(trifluoromethyl)benzamide is COCCOc1cnc2ccc(C(=O)c3c(F)ccc(NC(=O)c4cccc(Cl)c4C(F)(F)F)c3F)cc2n1.

What is the InChIKey of 3-chloro-N-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-2-(trifluoromethyl)benzamide?

The InChIKey is PWXDIAGIQLZXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClF5N3O4/c1-38-9-10-39-20-12-33-17-7-5-13(11-19(17)34-20)24(36)21-16(28)6-8-18(23(21)29)35-25(37)14-3-2-4-15(27)22(14)26(30,31)32/h2-8,11-12H,9-10H2,1H3,(H,35,37).

What are the key properties of 3-chloro-N-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-2-(trifluoromethyl)benzamide?

3-chloro-N-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-2-(trifluoromethyl)benzamide has a molecular weight of 565.88 g/mol, XLogP of 6.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 151533168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).