Ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate

Name: Ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₇FN₂O₃ — CID 60638891

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

IUPACethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate

SMILESCCOC(=O)CNC(=O)NC(C)c1ccccc1F

InChIInChI=1S/C13H17FN2O3/c1-3-19-12(17)8-15-13(18)16-9(2)10-6-4-5-7-11(10)14/h4-7,9H,3,8H2,1-2H3,(H2,15,16,18)

InChIKeyZZWRILCYUXRWPO-UHFFFAOYSA-N

MW268.29 g/mol

LogP1.75

Rot. Bonds5

About Ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate

Ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate (PubChem CID 60638891) has the molecular formula C₁₃H₁₇FN₂O₃ and a molecular weight of 268.29 g/mol. Its IUPAC name is ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate.

Molecular Properties

Compound Name	Ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate
PubChem CID	60638891
Molecular Formula	C₁₃H₁₇FN₂O₃
Molecular Weight	268.29 g/mol
Exact Mass	268.12
IUPAC Name	ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate
SMILES	CCOC(=O)CNC(=O)NC(C)c1ccccc1F
InChI	InChI=1S/C13H17FN2O3/c1-3-19-12(17)8-15-13(18)16-9(2)10-6-4-5-7-11(10)14/h4-7,9H,3,8H2,1-2H3,(H2,15,16,18)
InChIKey	ZZWRILCYUXRWPO-UHFFFAOYSA-N
XLogP	1.75
TPSA	67.43 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	268.29
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate?

The IUPAC name of Ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate (CID 60638891) is ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate.

What is the SMILES notation for Ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate?

The canonical SMILES for Ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NC(C)c1ccccc1F.

What is the InChIKey of Ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate?

The InChIKey is ZZWRILCYUXRWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-3-19-12(17)8-15-13(18)16-9(2)10-6-4-5-7-11(10)14/h4-7,9H,3,8H2,1-2H3,(H2,15,16,18).

What are the key properties of Ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate?

Ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate has a molecular weight of 268.29 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate is sourced from PubChem (CID 60638891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 60638891 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.