4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide

C18H18F3NO3 — CID 30350028

IUPAC4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCOc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H18F3NO3/c1-2-24-15-8-6-13(7-9-15)17(23)22-10-11-25-16-5-3-4-14(12-16)18(19,20)21/h3-9,12H,2,10-11H2,1H3,(H,22,23)
InChIKeyQJLAAVJQPVJXIT-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.91
Rot. Bonds7

About 4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide

4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide (PubChem CID 30350028) has the molecular formula C18H18F3NO3 and a molecular weight of 353.34 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
PubChem CID30350028
Molecular FormulaC18H18F3NO3
Molecular Weight353.34 g/mol
Exact Mass353.12
IUPAC Name4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCOc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H18F3NO3/c1-2-24-15-8-6-13(7-9-15)17(23)22-10-11-25-16-5-3-4-14(12-16)18(19,20)21/h3-9,12H,2,10-11H2,1H3,(H,22,23)
InChIKeyQJLAAVJQPVJXIT-UHFFFAOYSA-N
XLogP3.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30349954
3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350054
4-methoxy-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide
CID 47059239
N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 27859219
4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30865966
1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene
CID 2283088
4-bromo-3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 55803408
N-[2-(4-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 8960957
N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide
CID 142629548
(2R)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 119296655
N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide
CID 9022506
N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113100586

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide (CID 30350028) is 4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide is CCOc1ccc(C(=O)NCCOc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide?
The InChIKey is QJLAAVJQPVJXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3/c1-2-24-15-8-6-13(7-9-15)17(23)22-10-11-25-16-5-3-4-14(12-16)18(19,20)21/h3-9,12H,2,10-11H2,1H3,(H,22,23).
What are the key properties of 4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide?
4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide has a molecular weight of 353.34 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide is sourced from PubChem (CID 30350028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).