2-(2-phenylphenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide

C26H19F3N2O3 — CID 50929981

About 2-(2-phenylphenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide

2-(2-phenylphenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide (PubChem CID 50929981) has the molecular formula C26H19F3N2O3 and a molecular weight of 464.44 g/mol. Its IUPAC name is 2-(2-phenylphenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide.

Molecular Properties

• Compound Name: 2-(2-phenylphenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
• PubChem CID: 50929981
• Molecular Formula: C26H19F3N2O3
• Molecular Weight: 464.44 g/mol
• Exact Mass: 464.13
• IUPAC Name: 2-(2-phenylphenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
• SMILES: O=C(COc1ccccc1-c1ccccc1)N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1
• InChI: InChI=1S/C26H19F3N2O3/c27-26(28,29)20-10-6-9-19(15-20)23-14-13-21(34-23)16-30-31-25(32)17-33-24-12-5-4-11-22(24)18-7-2-1-3-8-18/h1-16H,17H2,(H,31,32)/b30-16-
• InChIKey: VDFDXFCQUFZQBA-UHBFCERESA-N
• XLogP: 6.16
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.44
LogP ≤ 5	6.16
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-(2-phenylphenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide?

The IUPAC name of 2-(2-phenylphenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide (CID 50929981) is 2-(2-phenylphenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide.

What is the SMILES notation for 2-(2-phenylphenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide?

The canonical SMILES for 2-(2-phenylphenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide is O=C(COc1ccccc1-c1ccccc1)N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1.

What is the InChIKey of 2-(2-phenylphenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide?

The InChIKey is VDFDXFCQUFZQBA-UHBFCERESA-N. The full InChI is InChI=1S/C26H19F3N2O3/c27-26(28,29)20-10-6-9-19(15-20)23-14-13-21(34-23)16-30-31-25(32)17-33-24-12-5-4-11-22(24)18-7-2-1-3-8-18/h1-16H,17H2,(H,31,32)/b30-16-.

What are the key properties of 2-(2-phenylphenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide?

2-(2-phenylphenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide has a molecular weight of 464.44 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-phenylphenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 50929981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).