[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-(hydroxymethyl)benzoate

C17H14F3NO4 — CID 2517470

IUPAC[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-(hydroxymethyl)benzoate
SMILESO=C(COC(=O)c1ccc(CO)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3NO4/c18-17(19,20)13-2-1-3-14(8-13)21-15(23)10-25-16(24)12-6-4-11(9-22)5-7-12/h1-8,22H,9-10H2,(H,21,23)
InChIKeySFWLMMSHFJHLQJ-UHFFFAOYSA-N
MW353.30 g/mol
LogP2.99
Rot. Bonds5

About [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-(hydroxymethyl)benzoate

[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-(hydroxymethyl)benzoate (PubChem CID 2517470) has the molecular formula C17H14F3NO4 and a molecular weight of 353.30 g/mol. Its IUPAC name is [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-(hydroxymethyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-(hydroxymethyl)benzoate
PubChem CID2517470
Molecular FormulaC17H14F3NO4
Molecular Weight353.30 g/mol
Exact Mass353.09
IUPAC Name[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-(hydroxymethyl)benzoate
SMILESO=C(COC(=O)c1ccc(CO)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3NO4/c18-17(19,20)13-2-1-3-14(8-13)21-15(23)10-25-16(24)12-6-4-11(9-22)5-7-12/h1-8,22H,9-10H2,(H,21,23)
InChIKeySFWLMMSHFJHLQJ-UHFFFAOYSA-N
XLogP2.99
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-(hydroxymethyl)benzoate 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-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-(hydroxymethyl)benzoate?
The IUPAC name of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-(hydroxymethyl)benzoate (CID 2517470) is [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-(hydroxymethyl)benzoate.
What is the SMILES notation for [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-(hydroxymethyl)benzoate?
The canonical SMILES for [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-(hydroxymethyl)benzoate is O=C(COC(=O)c1ccc(CO)cc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-(hydroxymethyl)benzoate?
The InChIKey is SFWLMMSHFJHLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO4/c18-17(19,20)13-2-1-3-14(8-13)21-15(23)10-25-16(24)12-6-4-11(9-22)5-7-12/h1-8,22H,9-10H2,(H,21,23).
What are the key properties of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-(hydroxymethyl)benzoate?
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-(hydroxymethyl)benzoate has a molecular weight of 353.30 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-(hydroxymethyl)benzoate is sourced from PubChem (CID 2517470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).