ethyl 2-(2-carbamoyl-5-fluoroanilino)acetate

C11H13FN2O3 — CID 139911550

IUPACethyl 2-(2-carbamoyl-5-fluoroanilino)acetate
SMILESCCOC(=O)CNc1cc(F)ccc1C(N)=O
InChIInChI=1S/C11H13FN2O3/c1-2-17-10(15)6-14-9-5-7(12)3-4-8(9)11(13)16/h3-5,14H,2,6H2,1H3,(H2,13,16)
InChIKeyGJZNAXHJOOILIR-UHFFFAOYSA-N
MW240.23 g/mol
LogP0.90
Rot. Bonds5

About ethyl 2-(2-carbamoyl-5-fluoroanilino)acetate

ethyl 2-(2-carbamoyl-5-fluoroanilino)acetate (PubChem CID 139911550) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is ethyl 2-(2-carbamoyl-5-fluoroanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-carbamoyl-5-fluoroanilino)acetate
PubChem CID139911550
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Nameethyl 2-(2-carbamoyl-5-fluoroanilino)acetate
SMILESCCOC(=O)CNc1cc(F)ccc1C(N)=O
InChIInChI=1S/C11H13FN2O3/c1-2-17-10(15)6-14-9-5-7(12)3-4-8(9)11(13)16/h3-5,14H,2,6H2,1H3,(H2,13,16)
InChIKeyGJZNAXHJOOILIR-UHFFFAOYSA-N
XLogP0.90
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-carbamoyl-5-fluoroanilino)acetate?
The IUPAC name of ethyl 2-(2-carbamoyl-5-fluoroanilino)acetate (CID 139911550) is ethyl 2-(2-carbamoyl-5-fluoroanilino)acetate.
What is the SMILES notation for ethyl 2-(2-carbamoyl-5-fluoroanilino)acetate?
The canonical SMILES for ethyl 2-(2-carbamoyl-5-fluoroanilino)acetate is CCOC(=O)CNc1cc(F)ccc1C(N)=O.
What is the InChIKey of ethyl 2-(2-carbamoyl-5-fluoroanilino)acetate?
The InChIKey is GJZNAXHJOOILIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-2-17-10(15)6-14-9-5-7(12)3-4-8(9)11(13)16/h3-5,14H,2,6H2,1H3,(H2,13,16).
What are the key properties of ethyl 2-(2-carbamoyl-5-fluoroanilino)acetate?
ethyl 2-(2-carbamoyl-5-fluoroanilino)acetate has a molecular weight of 240.23 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-carbamoyl-5-fluoroanilino)acetate is sourced from PubChem (CID 139911550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).