[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate

C16H12F3NO3 — CID 2380295

IUPAC[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccccc1F)Nc1ccc(F)cc1F
InChIInChI=1S/C16H12F3NO3/c17-11-5-6-14(13(19)8-11)20-15(21)9-23-16(22)7-10-3-1-2-4-12(10)18/h1-6,8H,7,9H2,(H,20,21)
InChIKeyZBQIVHUHLHZQDS-UHFFFAOYSA-N
MW323.27 g/mol
LogP2.83
Rot. Bonds5

About [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate

[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate (PubChem CID 2380295) has the molecular formula C16H12F3NO3 and a molecular weight of 323.27 g/mol. Its IUPAC name is [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
PubChem CID2380295
Molecular FormulaC16H12F3NO3
Molecular Weight323.27 g/mol
Exact Mass323.08
IUPAC Name[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccccc1F)Nc1ccc(F)cc1F
InChIInChI=1S/C16H12F3NO3/c17-11-5-6-14(13(19)8-11)20-15(21)9-23-16(22)7-10-3-1-2-4-12(10)18/h1-6,8H,7,9H2,(H,20,21)
InChIKeyZBQIVHUHLHZQDS-UHFFFAOYSA-N
XLogP2.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-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-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate (CID 2380295) is [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The canonical SMILES for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate is O=C(COC(=O)Cc1ccccc1F)Nc1ccc(F)cc1F.
What is the InChIKey of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The InChIKey is ZBQIVHUHLHZQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO3/c17-11-5-6-14(13(19)8-11)20-15(21)9-23-16(22)7-10-3-1-2-4-12(10)18/h1-6,8H,7,9H2,(H,20,21).
What are the key properties of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate has a molecular weight of 323.27 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 2380295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).