ethyl 2-(5-fluoro-2-hydroxyanilino)-2-oxoacetate

C10H10FNO4 — CID 12803552

IUPACethyl 2-(5-fluoro-2-hydroxyanilino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cc(F)ccc1O
InChIInChI=1S/C10H10FNO4/c1-2-16-10(15)9(14)12-7-5-6(11)3-4-8(7)13/h3-5,13H,2H2,1H3,(H,12,14)
InChIKeyQUNHBSTWVJZDEH-UHFFFAOYSA-N
MW227.19 g/mol
LogP1.03
Rot. Bonds2

About ethyl 2-(5-fluoro-2-hydroxyanilino)-2-oxoacetate

ethyl 2-(5-fluoro-2-hydroxyanilino)-2-oxoacetate (PubChem CID 12803552) has the molecular formula C10H10FNO4 and a molecular weight of 227.19 g/mol. Its IUPAC name is ethyl 2-(5-fluoro-2-hydroxyanilino)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(5-fluoro-2-hydroxyanilino)-2-oxoacetate
PubChem CID12803552
Molecular FormulaC10H10FNO4
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Nameethyl 2-(5-fluoro-2-hydroxyanilino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cc(F)ccc1O
InChIInChI=1S/C10H10FNO4/c1-2-16-10(15)9(14)12-7-5-6(11)3-4-8(7)13/h3-5,13H,2H2,1H3,(H,12,14)
InChIKeyQUNHBSTWVJZDEH-UHFFFAOYSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2,5-dihydroxyanilino)-2-oxoacetate
CID 12803557
ethyl 2-(4-fluoro-2-methylanilino)-2-oxoacetate
CID 60893380
ethyl 2-(4-fluoro-2-methoxyanilino)-2-oxoacetate
CID 54967859
ethyl 2-(5-butyl-2-hydroxyanilino)-2-oxoacetate
CID 12803550
ethyl 2-(4-cyano-2-hydroxyanilino)-2-oxoacetate
CID 154157486
ethyl 2-[2,4-dichloro-5-[(2-ethoxy-2-oxoacetyl)amino]anilino]-2-oxoacetate
CID 12897311
ethyl 2-(2,6-dichloro-4-fluoroanilino)-2-oxoacetate
CID 83078471
ethyl 2-[(3-fluoro-4-pyridinyl)amino]-2-oxoacetate
CID 107595257
ethyl 2-(5-bromo-4-fluoro-2-methylanilino)-2-oxoacetate
CID 107593469
ethyl 2-[2-chloro-3-[(2-ethoxy-2-oxoacetyl)amino]-5-methylanilino]-2-oxoacetate
CID 12897321
N-(5-fluoro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 71979004
3,4-bis[(2-ethoxy-2-oxoacetyl)amino]benzoic acid
CID 23451570

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-fluoro-2-hydroxyanilino)-2-oxoacetate?
The IUPAC name of ethyl 2-(5-fluoro-2-hydroxyanilino)-2-oxoacetate (CID 12803552) is ethyl 2-(5-fluoro-2-hydroxyanilino)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(5-fluoro-2-hydroxyanilino)-2-oxoacetate?
The canonical SMILES for ethyl 2-(5-fluoro-2-hydroxyanilino)-2-oxoacetate is CCOC(=O)C(=O)Nc1cc(F)ccc1O.
What is the InChIKey of ethyl 2-(5-fluoro-2-hydroxyanilino)-2-oxoacetate?
The InChIKey is QUNHBSTWVJZDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO4/c1-2-16-10(15)9(14)12-7-5-6(11)3-4-8(7)13/h3-5,13H,2H2,1H3,(H,12,14).
What are the key properties of ethyl 2-(5-fluoro-2-hydroxyanilino)-2-oxoacetate?
ethyl 2-(5-fluoro-2-hydroxyanilino)-2-oxoacetate has a molecular weight of 227.19 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-fluoro-2-hydroxyanilino)-2-oxoacetate is sourced from PubChem (CID 12803552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).