3-ethoxy-N-[2-(trifluoromethyl)phenyl]propanamide

C12H14F3NO2 — CID 2973171

IUPAC3-ethoxy-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCCOCCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-2-18-8-7-11(17)16-10-6-4-3-5-9(10)12(13,14)15/h3-6H,2,7-8H2,1H3,(H,16,17)
InChIKeyHQOAPLMXLMKWOA-UHFFFAOYSA-N
MW261.24 g/mol
LogP3.07
Rot. Bonds5

About 3-ethoxy-N-[2-(trifluoromethyl)phenyl]propanamide

3-ethoxy-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 2973171) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID2973171
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name3-ethoxy-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCCOCCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-2-18-8-7-11(17)16-10-6-4-3-5-9(10)12(13,14)15/h3-6H,2,7-8H2,1H3,(H,16,17)
InChIKeyHQOAPLMXLMKWOA-UHFFFAOYSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-ethoxy-N-[2-(trifluoromethyl)phenyl]propanamide 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 3-ethoxy-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-ethoxy-N-[2-(trifluoromethyl)phenyl]propanamide (CID 2973171) is 3-ethoxy-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-ethoxy-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-ethoxy-N-[2-(trifluoromethyl)phenyl]propanamide is CCOCCC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-ethoxy-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is HQOAPLMXLMKWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-2-18-8-7-11(17)16-10-6-4-3-5-9(10)12(13,14)15/h3-6H,2,7-8H2,1H3,(H,16,17).
What are the key properties of 3-ethoxy-N-[2-(trifluoromethyl)phenyl]propanamide?
3-ethoxy-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 261.24 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 2973171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).