ethyl 2-(2-carbamoyl-6-fluoroanilino)-2-oxoacetate

C11H11FN2O4 — CID 66610273

IUPACethyl 2-(2-carbamoyl-6-fluoroanilino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1c(F)cccc1C(N)=O
InChIInChI=1S/C11H11FN2O4/c1-2-18-11(17)10(16)14-8-6(9(13)15)4-3-5-7(8)12/h3-5H,2H2,1H3,(H2,13,15)(H,14,16)
InChIKeyDDZQXKUJSZKDBH-UHFFFAOYSA-N
MW254.22 g/mol
LogP0.43
Rot. Bonds3

About ethyl 2-(2-carbamoyl-6-fluoroanilino)-2-oxoacetate

ethyl 2-(2-carbamoyl-6-fluoroanilino)-2-oxoacetate (PubChem CID 66610273) has the molecular formula C11H11FN2O4 and a molecular weight of 254.22 g/mol. Its IUPAC name is ethyl 2-(2-carbamoyl-6-fluoroanilino)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(2-carbamoyl-6-fluoroanilino)-2-oxoacetate
PubChem CID66610273
Molecular FormulaC11H11FN2O4
Molecular Weight254.22 g/mol
Exact Mass254.07
IUPAC Nameethyl 2-(2-carbamoyl-6-fluoroanilino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1c(F)cccc1C(N)=O
InChIInChI=1S/C11H11FN2O4/c1-2-18-11(17)10(16)14-8-6(9(13)15)4-3-5-7(8)12/h3-5H,2H2,1H3,(H2,13,15)(H,14,16)
InChIKeyDDZQXKUJSZKDBH-UHFFFAOYSA-N
XLogP0.43
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 273128
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N-isopropyl-2-[(methoxyacetyl)amino]benzamide
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Ethyl ({2-[(isopropylamino)carbonyl]phenyl}amino)(oxo)acetate
CID 2971816
Ethyl {[2-(benzylcarbamoyl)phenyl]amino}(oxo)acetate
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Ethyl [2-(aminocarbonyl)anilino](oxo)acetate
CID 1581466
ethyl 8-fluoro-4-oxo-1H-quinoline-2-carboxylate
CID 138755957
2-[(2-Fluorophenyl)amino]-1-methyl-2-oxoethyl 1,4-dihydro-4-oxo-2-quinolinecarboxylate
CID 16256589
2-[(Methoxyacetyl)amino]benzamide
CID 886033
Methyl 2-[(2-carbamoylphenyl)amino]acetate
CID 13111327
Ethyl [(4-carbamoylphenyl)carbamoyl]formate
CID 2268636

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-carbamoyl-6-fluoroanilino)-2-oxoacetate?
The IUPAC name of ethyl 2-(2-carbamoyl-6-fluoroanilino)-2-oxoacetate (CID 66610273) is ethyl 2-(2-carbamoyl-6-fluoroanilino)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(2-carbamoyl-6-fluoroanilino)-2-oxoacetate?
The canonical SMILES for ethyl 2-(2-carbamoyl-6-fluoroanilino)-2-oxoacetate is CCOC(=O)C(=O)Nc1c(F)cccc1C(N)=O.
What is the InChIKey of ethyl 2-(2-carbamoyl-6-fluoroanilino)-2-oxoacetate?
The InChIKey is DDZQXKUJSZKDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O4/c1-2-18-11(17)10(16)14-8-6(9(13)15)4-3-5-7(8)12/h3-5H,2H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of ethyl 2-(2-carbamoyl-6-fluoroanilino)-2-oxoacetate?
ethyl 2-(2-carbamoyl-6-fluoroanilino)-2-oxoacetate has a molecular weight of 254.22 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-carbamoyl-6-fluoroanilino)-2-oxoacetate is sourced from PubChem (CID 66610273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).