2-[(4-ethylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C13H17F3N2O — CID 103619237

IUPAC2-[(4-ethylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCc1ccc(CNCC(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O/c1-2-10-3-5-11(6-4-10)7-17-8-12(19)18-9-13(14,15)16/h3-6,17H,2,7-9H2,1H3,(H,18,19)
InChIKeyJXINKKQGMLLYOY-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.02
Rot. Bonds6

About 2-[(4-ethylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(4-ethylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103619237) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID103619237
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name2-[(4-ethylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCc1ccc(CNCC(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O/c1-2-10-3-5-11(6-4-10)7-17-8-12(19)18-9-13(14,15)16/h3-6,17H,2,7-9H2,1H3,(H,18,19)
InChIKeyJXINKKQGMLLYOY-UHFFFAOYSA-N
XLogP2.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-pyrrol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 115686109
2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60647375
N-[(4-hydroxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 113235616
2-[(5-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60957963
N-(2,2,2-trifluoroethyl)-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide
CID 60957323
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
2-(4-butylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60684996
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 120758156
2-[(2,4-dimethoxyphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60957321
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 112705231
2-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 31371490
2-(ethylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60718885

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(4-ethylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 103619237) is 2-[(4-ethylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(4-ethylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(4-ethylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is CCc1ccc(CNCC(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JXINKKQGMLLYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-2-10-3-5-11(6-4-10)7-17-8-12(19)18-9-13(14,15)16/h3-6,17H,2,7-9H2,1H3,(H,18,19).
What are the key properties of 2-[(4-ethylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(4-ethylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 274.29 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103619237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).