2-(4-chlorophenoxy)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide

C26H20ClFN2O3 — CID 6031148

About 2-(4-chlorophenoxy)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide

2-(4-chlorophenoxy)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide (PubChem CID 6031148) has the molecular formula C26H20ClFN2O3 and a molecular weight of 462.91 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenoxy)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
• PubChem CID: 6031148
• Molecular Formula: C26H20ClFN2O3
• Molecular Weight: 462.91 g/mol
• Exact Mass: 462.11
• IUPAC Name: 2-(4-chlorophenoxy)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
• SMILES: O=C(COc1ccc(Cl)cc1)N/N=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12
• InChI: InChI=1S/C26H20ClFN2O3/c27-20-8-12-22(13-9-20)32-17-26(31)30-29-15-24-23-4-2-1-3-19(23)7-14-25(24)33-16-18-5-10-21(28)11-6-18/h1-15H,16-17H2,(H,30,31)/b29-15-
• InChIKey: DFTYROGAGMGSQG-FDVSRXAVSA-N
• XLogP: 5.74
• TPSA: 59.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.91
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide?

The IUPAC name of 2-(4-chlorophenoxy)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide (CID 6031148) is 2-(4-chlorophenoxy)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide.

What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide?

The canonical SMILES for 2-(4-chlorophenoxy)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide is O=C(COc1ccc(Cl)cc1)N/N=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12.

What is the InChIKey of 2-(4-chlorophenoxy)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide?

The InChIKey is DFTYROGAGMGSQG-FDVSRXAVSA-N. The full InChI is InChI=1S/C26H20ClFN2O3/c27-20-8-12-22(13-9-20)32-17-26(31)30-29-15-24-23-4-2-1-3-19(23)7-14-25(24)33-16-18-5-10-21(28)11-6-18/h1-15H,16-17H2,(H,30,31)/b29-15-.

What are the key properties of 2-(4-chlorophenoxy)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide?

2-(4-chlorophenoxy)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide has a molecular weight of 462.91 g/mol, XLogP of 5.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenoxy)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide is sourced from PubChem (CID 6031148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).