2-(ethylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide

C13H17F3N2O2 — CID 60718885

IUPAC2-(ethylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
SMILESCCNCC(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2/c1-2-17-8-12(19)18-7-10-3-5-11(6-4-10)20-9-13(14,15)16/h3-6,17H,2,7-9H2,1H3,(H,18,19)
InChIKeyQVSXGRXPHMKRMQ-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.85
Rot. Bonds7

About 2-(ethylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide

2-(ethylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide (PubChem CID 60718885) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-(ethylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
PubChem CID60718885
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name2-(ethylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
SMILESCCNCC(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2/c1-2-17-8-12(19)18-7-10-3-5-11(6-4-10)20-9-13(14,15)16/h3-6,17H,2,7-9H2,1H3,(H,18,19)
InChIKeyQVSXGRXPHMKRMQ-UHFFFAOYSA-N
XLogP1.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119701626
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
2-bromo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 55257440
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119277633
2-(4-ethoxyphenyl)sulfanyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 31519678
2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 30293543
4-(4-ethylphenyl)-4-oxo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide
CID 31165478
4-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119277655
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 24647639
3-fluoro-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]benzamide
CID 30293608
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119277641
2-[(4-ethoxyphenyl)methylamino]-N-ethylacetamide
CID 43398927

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(ethylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide (CID 60718885) is 2-(ethylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(ethylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(ethylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide is CCNCC(=O)NCc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 2-(ethylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The InChIKey is QVSXGRXPHMKRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-2-17-8-12(19)18-7-10-3-5-11(6-4-10)20-9-13(14,15)16/h3-6,17H,2,7-9H2,1H3,(H,18,19).
What are the key properties of 2-(ethylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
2-(ethylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide has a molecular weight of 290.29 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 60718885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).