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

C9H7FN2O4 — CID 69017763

IUPAC2-(2-carbamoyl-4-fluoroanilino)-2-oxoacetic acid
SMILESNC(=O)c1cc(F)ccc1NC(=O)C(=O)O
InChIInChI=1S/C9H7FN2O4/c10-4-1-2-6(5(3-4)7(11)13)12-8(14)9(15)16/h1-3H,(H2,11,13)(H,12,14)(H,15,16)
InChIKeyNWIZBVWGWNDGMU-UHFFFAOYSA-N
MW226.16 g/mol
LogP-0.05
Rot. Bonds2

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

2-(2-carbamoyl-4-fluoroanilino)-2-oxoacetic acid (PubChem CID 69017763) has the molecular formula C9H7FN2O4 and a molecular weight of 226.16 g/mol. Its IUPAC name is 2-(2-carbamoyl-4-fluoroanilino)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(2-carbamoyl-4-fluoroanilino)-2-oxoacetic acid
PubChem CID69017763
Molecular FormulaC9H7FN2O4
Molecular Weight226.16 g/mol
Exact Mass226.04
IUPAC Name2-(2-carbamoyl-4-fluoroanilino)-2-oxoacetic acid
SMILESNC(=O)c1cc(F)ccc1NC(=O)C(=O)O
InChIInChI=1S/C9H7FN2O4/c10-4-1-2-6(5(3-4)7(11)13)12-8(14)9(15)16/h1-3H,(H2,11,13)(H,12,14)(H,15,16)
InChIKeyNWIZBVWGWNDGMU-UHFFFAOYSA-N
XLogP-0.05
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.16
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamoyl-4-fluoroanilino)-2-oxoacetic acid?
The IUPAC name of 2-(2-carbamoyl-4-fluoroanilino)-2-oxoacetic acid (CID 69017763) is 2-(2-carbamoyl-4-fluoroanilino)-2-oxoacetic acid.
What is the SMILES notation for 2-(2-carbamoyl-4-fluoroanilino)-2-oxoacetic acid?
The canonical SMILES for 2-(2-carbamoyl-4-fluoroanilino)-2-oxoacetic acid is NC(=O)c1cc(F)ccc1NC(=O)C(=O)O.
What is the InChIKey of 2-(2-carbamoyl-4-fluoroanilino)-2-oxoacetic acid?
The InChIKey is NWIZBVWGWNDGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O4/c10-4-1-2-6(5(3-4)7(11)13)12-8(14)9(15)16/h1-3H,(H2,11,13)(H,12,14)(H,15,16).
What are the key properties of 2-(2-carbamoyl-4-fluoroanilino)-2-oxoacetic acid?
2-(2-carbamoyl-4-fluoroanilino)-2-oxoacetic acid has a molecular weight of 226.16 g/mol, XLogP of -0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamoyl-4-fluoroanilino)-2-oxoacetic acid is sourced from PubChem (CID 69017763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).