2-ethoxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide

C13H16F3NO3 — CID 107483427

IUPAC2-ethoxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCOc1ccccc1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H16F3NO3/c1-2-20-11-6-4-3-5-10(11)12(19)17(7-8-18)9-13(14,15)16/h3-6,18H,2,7-9H2,1H3
InChIKeyAGDVNKNNEUWUPB-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.08
Rot. Bonds6

About 2-ethoxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide

2-ethoxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 107483427) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-ethoxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID107483427
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Name2-ethoxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCOc1ccccc1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H16F3NO3/c1-2-20-11-6-4-3-5-10(11)12(19)17(7-8-18)9-13(14,15)16/h3-6,18H,2,7-9H2,1H3
InChIKeyAGDVNKNNEUWUPB-UHFFFAOYSA-N
XLogP2.08
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-cyanoethyl)-2-ethoxybenzamide
CID 2207652
N-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide
CID 63395258
N-(2-hydroxyethyl)-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107486122
2-[2-(2-ethoxyphenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864883
N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78865711
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethoxybenzamide
CID 107493431
N-(2-bromoethyl)-N-butyl-2-ethoxybenzamide
CID 80659573
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid
CID 63616260
N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
CID 113462770
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
N-(2-hydroxyethyl)-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 103915507
2-ethoxy-N-ethyl-N-(4-fluorophenyl)benzamide
CID 60592425

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-ethoxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide (CID 107483427) is 2-ethoxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-ethoxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-ethoxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide is CCOc1ccccc1C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-ethoxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is AGDVNKNNEUWUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-2-20-11-6-4-3-5-10(11)12(19)17(7-8-18)9-13(14,15)16/h3-6,18H,2,7-9H2,1H3.
What are the key properties of 2-ethoxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
2-ethoxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 291.27 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 107483427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).