4-ethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide

C13H15F3N2O3 — CID 51166561

IUPAC4-ethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O3/c1-2-21-10-5-3-9(4-6-10)12(20)17-7-11(19)18-8-13(14,15)16/h3-6H,2,7-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyZUNMRYPOGWUJGD-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.49
Rot. Bonds6

About 4-ethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide

4-ethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide (PubChem CID 51166561) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 4-ethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
PubChem CID51166561
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name4-ethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O3/c1-2-21-10-5-3-9(4-6-10)12(20)17-7-11(19)18-8-13(14,15)16/h3-6H,2,7-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyZUNMRYPOGWUJGD-UHFFFAOYSA-N
XLogP1.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 17349908
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 55932771
N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide
CID 34231237
3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 55932643
4-butoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786044
4-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 47102738
3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51166529
4-ethoxy-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366137
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291
N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136
2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]propanoic acid
CID 120523615
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 7676792

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide (CID 51166561) is 4-ethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 4-ethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
The InChIKey is ZUNMRYPOGWUJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-2-21-10-5-3-9(4-6-10)12(20)17-7-11(19)18-8-13(14,15)16/h3-6H,2,7-8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 4-ethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
4-ethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide has a molecular weight of 304.27 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide is sourced from PubChem (CID 51166561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).