N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide

C14H17F3N2O3 — CID 109468293

IUPACN-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide
SMILESCCN(CCO)C(=O)CNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H17F3N2O3/c1-2-19(7-8-20)12(21)9-18-13(22)10-5-3-4-6-11(10)14(15,16)17/h3-6,20H,2,7-9H2,1H3,(H,18,22)
InChIKeyIRSNYLVWZBXGGF-UHFFFAOYSA-N
MW318.29 g/mol
LogP1.28
Rot. Bonds6

About N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide

N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide (PubChem CID 109468293) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.29 g/mol. Its IUPAC name is N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide
PubChem CID109468293
Molecular FormulaC14H17F3N2O3
Molecular Weight318.29 g/mol
Exact Mass318.12
IUPAC NameN-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide
SMILESCCN(CCO)C(=O)CNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H17F3N2O3/c1-2-19(7-8-20)12(21)9-18-13(22)10-5-3-4-6-11(10)14(15,16)17/h3-6,20H,2,7-9H2,1H3,(H,18,22)
InChIKeyIRSNYLVWZBXGGF-UHFFFAOYSA-N
XLogP1.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide (CID 109468293) is N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide is CCN(CCO)C(=O)CNC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is IRSNYLVWZBXGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c1-2-19(7-8-20)12(21)9-18-13(22)10-5-3-4-6-11(10)14(15,16)17/h3-6,20H,2,7-9H2,1H3,(H,18,22).
What are the key properties of N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide?
N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 318.29 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 109468293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).