6-chloro-2-(4-fluorophenyl)-5-(3-formyl-4-methoxyphenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-amine

C28H22ClF8N3O4 — CID 145014859

About 6-chloro-2-(4-fluorophenyl)-5-(3-formyl-4-methoxyphenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-amine

6-chloro-2-(4-fluorophenyl)-5-(3-formyl-4-methoxyphenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-amine (PubChem CID 145014859) has the molecular formula C28H22ClF8N3O4 and a molecular weight of 651.94 g/mol. Its IUPAC name is 6-chloro-2-(4-fluorophenyl)-5-(3-formyl-4-methoxyphenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-amine.

Molecular Properties

• Compound Name: 6-chloro-2-(4-fluorophenyl)-5-(3-formyl-4-methoxyphenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-amine
• PubChem CID: 145014859
• Molecular Formula: C28H22ClF8N3O4
• Molecular Weight: 651.94 g/mol
• Exact Mass: 651.12
• IUPAC Name: 6-chloro-2-(4-fluorophenyl)-5-(3-formyl-4-methoxyphenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-amine
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(Cl)c(-c3ccc(OC)c(C=O)c3)cc12.CNCC(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C23H16ClFN2O4.C5H6F7N/c1-26-22(29)19-17-10-16(13-5-8-18(30-2)14(9-13)11-28)21(24)27-23(17)31-20(19)12-3-6-15(25)7-4-12;1-13-2-3(6,7)4(8,9)5(10,11)12/h3-11H,1-2H3,(H,26,29);13H,2H2,1H3
• InChIKey: ZWEOFFWWCYWPPQ-UHFFFAOYSA-N
• XLogP: 7.17
• TPSA: 93.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.94
LogP ≤ 5	7.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-fluorophenyl)-5-(3-formyl-4-methoxyphenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-amine?

The IUPAC name of 6-chloro-2-(4-fluorophenyl)-5-(3-formyl-4-methoxyphenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-amine (CID 145014859) is 6-chloro-2-(4-fluorophenyl)-5-(3-formyl-4-methoxyphenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-amine.

What is the SMILES notation for 6-chloro-2-(4-fluorophenyl)-5-(3-formyl-4-methoxyphenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-amine?

The canonical SMILES for 6-chloro-2-(4-fluorophenyl)-5-(3-formyl-4-methoxyphenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-amine is CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(Cl)c(-c3ccc(OC)c(C=O)c3)cc12.CNCC(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of 6-chloro-2-(4-fluorophenyl)-5-(3-formyl-4-methoxyphenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-amine?

The InChIKey is ZWEOFFWWCYWPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN2O4.C5H6F7N/c1-26-22(29)19-17-10-16(13-5-8-18(30-2)14(9-13)11-28)21(24)27-23(17)31-20(19)12-3-6-15(25)7-4-12;1-13-2-3(6,7)4(8,9)5(10,11)12/h3-11H,1-2H3,(H,26,29);13H,2H2,1H3.

What are the key properties of 6-chloro-2-(4-fluorophenyl)-5-(3-formyl-4-methoxyphenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-amine?

6-chloro-2-(4-fluorophenyl)-5-(3-formyl-4-methoxyphenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-amine has a molecular weight of 651.94 g/mol, XLogP of 7.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-(4-fluorophenyl)-5-(3-formyl-4-methoxyphenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-amine is sourced from PubChem (CID 145014859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).