N-(6-amino-2-pyridinyl)-2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]benzamide

C33H25Cl2N3O4 — CID 69154073

About N-(6-amino-2-pyridinyl)-2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]benzamide

N-(6-amino-2-pyridinyl)-2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]benzamide (PubChem CID 69154073) has the molecular formula C33H25Cl2N3O4 and a molecular weight of 598.49 g/mol. Its IUPAC name is N-(6-amino-2-pyridinyl)-2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]benzamide.

Molecular Properties

• Compound Name: N-(6-amino-2-pyridinyl)-2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]benzamide
• PubChem CID: 69154073
• Molecular Formula: C33H25Cl2N3O4
• Molecular Weight: 598.49 g/mol
• Exact Mass: 597.12
• IUPAC Name: N-(6-amino-2-pyridinyl)-2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]benzamide
• SMILES: Nc1cccc(N(C(=O)c2ccccc2OCc2ccccc2Cl)C(=O)c2ccccc2OCc2ccccc2Cl)n1
• InChI: InChI=1S/C33H25Cl2N3O4/c34-26-14-5-1-10-22(26)20-41-28-16-7-3-12-24(28)32(39)38(31-19-9-18-30(36)37-31)33(40)25-13-4-8-17-29(25)42-21-23-11-2-6-15-27(23)35/h1-19H,20-21H2,(H2,36,37)
• InChIKey: AJFRXOKGIALFBC-UHFFFAOYSA-N
• XLogP: 7.62
• TPSA: 94.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.49
LogP ≤ 5	7.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-pyridinyl)-2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]benzamide?

The IUPAC name of N-(6-amino-2-pyridinyl)-2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]benzamide (CID 69154073) is N-(6-amino-2-pyridinyl)-2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]benzamide.

What is the SMILES notation for N-(6-amino-2-pyridinyl)-2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]benzamide?

The canonical SMILES for N-(6-amino-2-pyridinyl)-2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]benzamide is Nc1cccc(N(C(=O)c2ccccc2OCc2ccccc2Cl)C(=O)c2ccccc2OCc2ccccc2Cl)n1.

What is the InChIKey of N-(6-amino-2-pyridinyl)-2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]benzamide?

The InChIKey is AJFRXOKGIALFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25Cl2N3O4/c34-26-14-5-1-10-22(26)20-41-28-16-7-3-12-24(28)32(39)38(31-19-9-18-30(36)37-31)33(40)25-13-4-8-17-29(25)42-21-23-11-2-6-15-27(23)35/h1-19H,20-21H2,(H2,36,37).

What are the key properties of N-(6-amino-2-pyridinyl)-2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]benzamide?

N-(6-amino-2-pyridinyl)-2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]benzamide has a molecular weight of 598.49 g/mol, XLogP of 7.62, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-2-pyridinyl)-2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]benzamide is sourced from PubChem (CID 69154073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).