N-(2-chloroacetyl)-N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide

C29H26Cl3N3O4 — CID 69371747

About N-(2-chloroacetyl)-N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide

N-(2-chloroacetyl)-N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide (PubChem CID 69371747) has the molecular formula C29H26Cl3N3O4 and a molecular weight of 586.90 g/mol. Its IUPAC name is N-(2-chloroacetyl)-N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide.

Molecular Properties

• Compound Name: N-(2-chloroacetyl)-N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide
• PubChem CID: 69371747
• Molecular Formula: C29H26Cl3N3O4
• Molecular Weight: 586.90 g/mol
• Exact Mass: 585.10
• IUPAC Name: N-(2-chloroacetyl)-N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide
• SMILES: CNCC(=O)N(C(=O)CCl)c1c(C(=O)C(C)(C)C)oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12
• InChI: InChI=1S/C29H26Cl3N3O4/c1-29(2,3)27(38)26-25(35(22(36)14-30)23(37)15-33-4)20-13-19(16-9-11-17(31)12-10-16)24(34-28(20)39-26)18-7-5-6-8-21(18)32/h5-13,33H,14-15H2,1-4H3
• InChIKey: UFPAEROKDLMOND-UHFFFAOYSA-N
• XLogP: 7.02
• TPSA: 92.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.90
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroacetyl)-N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide?

The IUPAC name of N-(2-chloroacetyl)-N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide (CID 69371747) is N-(2-chloroacetyl)-N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide.

What is the SMILES notation for N-(2-chloroacetyl)-N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide?

The canonical SMILES for N-(2-chloroacetyl)-N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide is CNCC(=O)N(C(=O)CCl)c1c(C(=O)C(C)(C)C)oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12.

What is the InChIKey of N-(2-chloroacetyl)-N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide?

The InChIKey is UFPAEROKDLMOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26Cl3N3O4/c1-29(2,3)27(38)26-25(35(22(36)14-30)23(37)15-33-4)20-13-19(16-9-11-17(31)12-10-16)24(34-28(20)39-26)18-7-5-6-8-21(18)32/h5-13,33H,14-15H2,1-4H3.

What are the key properties of N-(2-chloroacetyl)-N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide?

N-(2-chloroacetyl)-N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide has a molecular weight of 586.90 g/mol, XLogP of 7.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloroacetyl)-N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide is sourced from PubChem (CID 69371747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).