Ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate

Name: Ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₄FNO₄ — CID 87037221

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate

SMILESCCOC(=O)CNC(=O)c1ccc(OC)cc1F

InChIInChI=1S/C12H14FNO4/c1-3-18-11(15)7-14-12(16)9-5-4-8(17-2)6-10(9)13/h4-6H,3,7H2,1-2H3,(H,14,16)

InChIKeyGPDQHSZVKUCHQK-UHFFFAOYSA-N

MW255.24 g/mol

LogP1.13

Rot. Bonds5

About Ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate

Ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate (PubChem CID 87037221) has the molecular formula C₁₂H₁₄FNO₄ and a molecular weight of 255.24 g/mol. Its IUPAC name is ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name	Ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate
PubChem CID	87037221
Molecular Formula	C₁₂H₁₄FNO₄
Molecular Weight	255.24 g/mol
Exact Mass	255.09
IUPAC Name	ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate
SMILES	CCOC(=O)CNC(=O)c1ccc(OC)cc1F
InChI	InChI=1S/C12H14FNO4/c1-3-18-11(15)7-14-12(16)9-5-4-8(17-2)6-10(9)13/h4-6H,3,7H2,1-2H3,(H,14,16)
InChIKey	GPDQHSZVKUCHQK-UHFFFAOYSA-N
XLogP	1.13
TPSA	64.63 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	255.24
LogP ≤ 5	1.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of Ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate (CID 87037221) is ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate.

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

The canonical SMILES for Ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate is CCOC(=O)CNC(=O)c1ccc(OC)cc1F.

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

The InChIKey is GPDQHSZVKUCHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4/c1-3-18-11(15)7-14-12(16)9-5-4-8(17-2)6-10(9)13/h4-6H,3,7H2,1-2H3,(H,14,16).

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

Ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate has a molecular weight of 255.24 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 87037221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 87037221 — identifiers, structure, computed properties (public domain)

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