[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2-fluorophenyl)acetate

C19H20FNO3 — CID 2434577

IUPAC[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2-fluorophenyl)acetate
SMILESCC(C)c1ccccc1NC(=O)COC(=O)Cc1ccccc1F
InChIInChI=1S/C19H20FNO3/c1-13(2)15-8-4-6-10-17(15)21-18(22)12-24-19(23)11-14-7-3-5-9-16(14)20/h3-10,13H,11-12H2,1-2H3,(H,21,22)
InChIKeyPFKPYWDKARNKIM-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.67
Rot. Bonds6

About [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2-fluorophenyl)acetate

[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2-fluorophenyl)acetate (PubChem CID 2434577) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2-fluorophenyl)acetate
PubChem CID2434577
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2-fluorophenyl)acetate
SMILESCC(C)c1ccccc1NC(=O)COC(=O)Cc1ccccc1F
InChIInChI=1S/C19H20FNO3/c1-13(2)15-8-4-6-10-17(15)21-18(22)12-24-19(23)11-14-7-3-5-9-16(14)20/h3-10,13H,11-12H2,1-2H3,(H,21,22)
InChIKeyPFKPYWDKARNKIM-UHFFFAOYSA-N
XLogP3.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2-fluorophenyl)acetate?
The IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2-fluorophenyl)acetate (CID 2434577) is [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2-fluorophenyl)acetate?
The canonical SMILES for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2-fluorophenyl)acetate is CC(C)c1ccccc1NC(=O)COC(=O)Cc1ccccc1F.
What is the InChIKey of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2-fluorophenyl)acetate?
The InChIKey is PFKPYWDKARNKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-13(2)15-8-4-6-10-17(15)21-18(22)12-24-19(23)11-14-7-3-5-9-16(14)20/h3-10,13H,11-12H2,1-2H3,(H,21,22).
What are the key properties of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2-fluorophenyl)acetate?
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2-fluorophenyl)acetate has a molecular weight of 329.37 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 2434577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).