(2-anilino-2-oxoethyl) 2-(4-fluorophenyl)acetate

C16H14FNO3 — CID 2335046

IUPAC(2-anilino-2-oxoethyl) 2-(4-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(F)cc1)Nc1ccccc1
InChIInChI=1S/C16H14FNO3/c17-13-8-6-12(7-9-13)10-16(20)21-11-15(19)18-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,18,19)
InChIKeyGWEBCMMQTLAALK-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.55
Rot. Bonds5

About (2-anilino-2-oxoethyl) 2-(4-fluorophenyl)acetate

(2-anilino-2-oxoethyl) 2-(4-fluorophenyl)acetate (PubChem CID 2335046) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-(4-fluorophenyl)acetate
PubChem CID2335046
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name(2-anilino-2-oxoethyl) 2-(4-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(F)cc1)Nc1ccccc1
InChIInChI=1S/C16H14FNO3/c17-13-8-6-12(7-9-13)10-16(20)21-11-15(19)18-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,18,19)
InChIKeyGWEBCMMQTLAALK-UHFFFAOYSA-N
XLogP2.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-anilino-2-oxoethyl) 2-(4-fluorophenyl)acetate 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-anilino-2-oxoethyl) 2-(4-fluorophenyl)acetate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-(4-fluorophenyl)acetate (CID 2335046) is (2-anilino-2-oxoethyl) 2-(4-fluorophenyl)acetate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-(4-fluorophenyl)acetate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-(4-fluorophenyl)acetate is O=C(COC(=O)Cc1ccc(F)cc1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-(4-fluorophenyl)acetate?
The InChIKey is GWEBCMMQTLAALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c17-13-8-6-12(7-9-13)10-16(20)21-11-15(19)18-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,18,19).
What are the key properties of (2-anilino-2-oxoethyl) 2-(4-fluorophenyl)acetate?
(2-anilino-2-oxoethyl) 2-(4-fluorophenyl)acetate has a molecular weight of 287.29 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 2335046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).