ethyl 2-(4-fluoro-2-methoxyanilino)-2-oxoacetate

C11H12FNO4 — CID 54967859

IUPACethyl 2-(4-fluoro-2-methoxyanilino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccc(F)cc1OC
InChIInChI=1S/C11H12FNO4/c1-3-17-11(15)10(14)13-8-5-4-7(12)6-9(8)16-2/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeySYRGIAIKZSDRTF-UHFFFAOYSA-N
MW241.22 g/mol
LogP1.34
Rot. Bonds3

About ethyl 2-(4-fluoro-2-methoxyanilino)-2-oxoacetate

ethyl 2-(4-fluoro-2-methoxyanilino)-2-oxoacetate (PubChem CID 54967859) has the molecular formula C11H12FNO4 and a molecular weight of 241.22 g/mol. Its IUPAC name is ethyl 2-(4-fluoro-2-methoxyanilino)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(4-fluoro-2-methoxyanilino)-2-oxoacetate
PubChem CID54967859
Molecular FormulaC11H12FNO4
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Nameethyl 2-(4-fluoro-2-methoxyanilino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccc(F)cc1OC
InChIInChI=1S/C11H12FNO4/c1-3-17-11(15)10(14)13-8-5-4-7(12)6-9(8)16-2/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeySYRGIAIKZSDRTF-UHFFFAOYSA-N
XLogP1.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4-fluoro-2-methylanilino)-2-oxoacetate
CID 60893380
ethyl 2-(5-fluoro-2-hydroxyanilino)-2-oxoacetate
CID 12803552
ethyl 2-(2,5-dimethoxy-4-methylanilino)-2-oxoacetate
CID 115141832
ethyl 2-(4-chloro-2,5-dimethoxyanilino)-2-oxoacetate
CID 3311966
ethyl 2-[3-[(2-ethoxy-2-oxoacetyl)amino]-4-methoxyanilino]-2-oxoacetate
CID 12897325
ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate
CID 3494164
3-(4-fluoro-2-methoxyanilino)-3-oxopropanoic acid
CID 62232302
2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate
CID 79349865
1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea
CID 75415528
1-(2-ethoxyethyl)-3-(4-fluoro-2-methoxyphenyl)urea
CID 47248250
2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62492319
N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107025881

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluoro-2-methoxyanilino)-2-oxoacetate?
The IUPAC name of ethyl 2-(4-fluoro-2-methoxyanilino)-2-oxoacetate (CID 54967859) is ethyl 2-(4-fluoro-2-methoxyanilino)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(4-fluoro-2-methoxyanilino)-2-oxoacetate?
The canonical SMILES for ethyl 2-(4-fluoro-2-methoxyanilino)-2-oxoacetate is CCOC(=O)C(=O)Nc1ccc(F)cc1OC.
What is the InChIKey of ethyl 2-(4-fluoro-2-methoxyanilino)-2-oxoacetate?
The InChIKey is SYRGIAIKZSDRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4/c1-3-17-11(15)10(14)13-8-5-4-7(12)6-9(8)16-2/h4-6H,3H2,1-2H3,(H,13,14).
What are the key properties of ethyl 2-(4-fluoro-2-methoxyanilino)-2-oxoacetate?
ethyl 2-(4-fluoro-2-methoxyanilino)-2-oxoacetate has a molecular weight of 241.22 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluoro-2-methoxyanilino)-2-oxoacetate is sourced from PubChem (CID 54967859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).