N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-2,2,2-trifluoroacetamide

C27H13Cl3F3N3O3 — CID 10326087

About N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-2,2,2-trifluoroacetamide

N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 10326087) has the molecular formula C27H13Cl3F3N3O3 and a molecular weight of 590.77 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-2,2,2-trifluoroacetamide
• PubChem CID: 10326087
• Molecular Formula: C27H13Cl3F3N3O3
• Molecular Weight: 590.77 g/mol
• Exact Mass: 589.00
• IUPAC Name: N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-2,2,2-trifluoroacetamide
• SMILES: O=C(c1cccnc1)c1oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c1NC(=O)C(F)(F)F
• InChI: InChI=1S/C27H13Cl3F3N3O3/c28-15-5-3-13(4-6-15)18-11-19-22(36-26(38)27(31,32)33)24(23(37)14-2-1-9-34-12-14)39-25(19)35-21(18)17-8-7-16(29)10-20(17)30/h1-12H,(H,36,38)
• InChIKey: DCHWPMCBZRYGAM-UHFFFAOYSA-N
• XLogP: 8.25
• TPSA: 85.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.77
LogP ≤ 5	8.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-2,2,2-trifluoroacetamide?

The IUPAC name of N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-2,2,2-trifluoroacetamide (CID 10326087) is N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-2,2,2-trifluoroacetamide.

What is the SMILES notation for N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-2,2,2-trifluoroacetamide?

The canonical SMILES for N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-2,2,2-trifluoroacetamide is O=C(c1cccnc1)c1oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c1NC(=O)C(F)(F)F.

What is the InChIKey of N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-2,2,2-trifluoroacetamide?

The InChIKey is DCHWPMCBZRYGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H13Cl3F3N3O3/c28-15-5-3-13(4-6-15)18-11-19-22(36-26(38)27(31,32)33)24(23(37)14-2-1-9-34-12-14)39-25(19)35-21(18)17-8-7-16(29)10-20(17)30/h1-12H,(H,36,38).

What are the key properties of N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-2,2,2-trifluoroacetamide?

N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 590.77 g/mol, XLogP of 8.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 10326087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).