2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate

C₁₈H₁₈FNO₅ — CID 8787743

About 2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate

2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate (PubChem CID 8787743) has the molecular formula C₁₈H₁₈FNO₅ and a molecular weight of 347.34 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate.

Molecular Properties

• Compound Name: 2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate
• PubChem CID: 8787743
• Molecular Formula: C₁₈H₁₈FNO₅
• Molecular Weight: 347.34 g/mol
• Exact Mass: 347.12
• IUPAC Name: 2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate
• SMILES: COc1ccc(C(=O)NCC(=O)OCCOc2ccc(F)cc2)cc1
• InChI: InChI=1S/C18H18FNO5/c1-23-15-6-2-13(3-7-15)18(22)20-12-17(21)25-11-10-24-16-8-4-14(19)5-9-16/h2-9H,10-12H2,1H3,(H,20,22)
• InChIKey: GGPIGMPPTOKYPM-UHFFFAOYSA-N
• XLogP: 2.19
• TPSA: 73.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.34
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate?

The IUPAC name of 2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate (CID 8787743) is 2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate.

What is the SMILES notation for 2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate?

The canonical SMILES for 2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate is COc1ccc(C(=O)NCC(=O)OCCOc2ccc(F)cc2)cc1.

What is the InChIKey of 2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate?

The InChIKey is GGPIGMPPTOKYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO5/c1-23-15-6-2-13(3-7-15)18(22)20-12-17(21)25-11-10-24-16-8-4-14(19)5-9-16/h2-9H,10-12H2,1H3,(H,20,22).

What are the key properties of 2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate?

2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate has a molecular weight of 347.34 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 8787743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 8787743 — identifiers, structure, computed properties (public domain)

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