2-(2-carbamoyl-N-ethyl-4-fluoroanilino)-2-oxoacetic acid

C11H11FN2O4 — CID 66768982

IUPAC2-(2-carbamoyl-N-ethyl-4-fluoroanilino)-2-oxoacetic acid
SMILESCCN(C(=O)C(=O)O)c1ccc(F)cc1C(N)=O
InChIInChI=1S/C11H11FN2O4/c1-2-14(10(16)11(17)18)8-4-3-6(12)5-7(8)9(13)15/h3-5H,2H2,1H3,(H2,13,15)(H,17,18)
InChIKeyRSDUPILRSSBIAB-UHFFFAOYSA-N
MW254.22 g/mol
LogP0.36
Rot. Bonds3

About 2-(2-carbamoyl-N-ethyl-4-fluoroanilino)-2-oxoacetic acid

2-(2-carbamoyl-N-ethyl-4-fluoroanilino)-2-oxoacetic acid (PubChem CID 66768982) has the molecular formula C11H11FN2O4 and a molecular weight of 254.22 g/mol. Its IUPAC name is 2-(2-carbamoyl-N-ethyl-4-fluoroanilino)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(2-carbamoyl-N-ethyl-4-fluoroanilino)-2-oxoacetic acid
PubChem CID66768982
Molecular FormulaC11H11FN2O4
Molecular Weight254.22 g/mol
Exact Mass254.07
IUPAC Name2-(2-carbamoyl-N-ethyl-4-fluoroanilino)-2-oxoacetic acid
SMILESCCN(C(=O)C(=O)O)c1ccc(F)cc1C(N)=O
InChIInChI=1S/C11H11FN2O4/c1-2-14(10(16)11(17)18)8-4-3-6(12)5-7(8)9(13)15/h3-5H,2H2,1H3,(H2,13,15)(H,17,18)
InChIKeyRSDUPILRSSBIAB-UHFFFAOYSA-N
XLogP0.36
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-carbamoyl-N-ethyl-4-fluoroanilino)-2-oxoacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamoyl-N-ethyl-4-fluoroanilino)-2-oxoacetic acid?
The IUPAC name of 2-(2-carbamoyl-N-ethyl-4-fluoroanilino)-2-oxoacetic acid (CID 66768982) is 2-(2-carbamoyl-N-ethyl-4-fluoroanilino)-2-oxoacetic acid.
What is the SMILES notation for 2-(2-carbamoyl-N-ethyl-4-fluoroanilino)-2-oxoacetic acid?
The canonical SMILES for 2-(2-carbamoyl-N-ethyl-4-fluoroanilino)-2-oxoacetic acid is CCN(C(=O)C(=O)O)c1ccc(F)cc1C(N)=O.
What is the InChIKey of 2-(2-carbamoyl-N-ethyl-4-fluoroanilino)-2-oxoacetic acid?
The InChIKey is RSDUPILRSSBIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O4/c1-2-14(10(16)11(17)18)8-4-3-6(12)5-7(8)9(13)15/h3-5H,2H2,1H3,(H2,13,15)(H,17,18).
What are the key properties of 2-(2-carbamoyl-N-ethyl-4-fluoroanilino)-2-oxoacetic acid?
2-(2-carbamoyl-N-ethyl-4-fluoroanilino)-2-oxoacetic acid has a molecular weight of 254.22 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamoyl-N-ethyl-4-fluoroanilino)-2-oxoacetic acid is sourced from PubChem (CID 66768982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).