4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide

C12H14F3NO3 — CID 78786050

IUPAC4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCOc1ccc(C(=O)NCC(F)(F)F)cc1OC
InChIInChI=1S/C12H14F3NO3/c1-3-19-9-5-4-8(6-10(9)18-2)11(17)16-7-12(13,14)15/h4-6H,3,7H2,1-2H3,(H,16,17)
InChIKeyXIWZNWHEUSENFX-UHFFFAOYSA-N
MW277.24 g/mol
LogP2.39
Rot. Bonds5

About 4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide

4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 78786050) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID78786050
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCOc1ccc(C(=O)NCC(F)(F)F)cc1OC
InChIInChI=1S/C12H14F3NO3/c1-3-19-9-5-4-8(6-10(9)18-2)11(17)16-7-12(13,14)15/h4-6H,3,7H2,1-2H3,(H,16,17)
InChIKeyXIWZNWHEUSENFX-UHFFFAOYSA-N
XLogP2.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)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

3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51166529
4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide
CID 39700417
4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24575944
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198
ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate
CID 47257630
N-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 33328596
4-methoxy-3-(methylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18105723
4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide
CID 9391807
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55660672
N-(2-amino-2-methylpropyl)-4-butoxy-3-methoxybenzamide
CID 119628351
N-[2-(aminomethyl)-2-ethylbutyl]-3,4-dimethoxybenzamide
CID 106250783
3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide
CID 18109976

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide (CID 78786050) is 4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide is CCOc1ccc(C(=O)NCC(F)(F)F)cc1OC.
What is the InChIKey of 4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is XIWZNWHEUSENFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-3-19-9-5-4-8(6-10(9)18-2)11(17)16-7-12(13,14)15/h4-6H,3,7H2,1-2H3,(H,16,17).
What are the key properties of 4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 277.24 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 78786050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).