2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

C12H15F3N2O2 — CID 60703728

IUPAC2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCCNCC(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-2-16-8-11(18)17-7-9-5-3-4-6-10(9)19-12(13,14)15/h3-6,16H,2,7-8H2,1H3,(H,17,18)
InChIKeyLXQKSCNAUDOJEA-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.81
Rot. Bonds6

About 2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 60703728) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID60703728
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCCNCC(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-2-16-8-11(18)17-7-9-5-3-4-6-10(9)19-12(13,14)15/h3-6,16H,2,7-8H2,1H3,(H,17,18)
InChIKeyLXQKSCNAUDOJEA-UHFFFAOYSA-N
XLogP1.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703769
2-(ethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55129029
2-(4-ethylpiperazin-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;formic acid
CID 154911848
3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 9451822
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416
2-iodo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]benzamide
CID 34321952
2-[methyl-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]-N-propylacetamide
CID 24566510
4-chloro-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 63309225
2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 70750681
2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 97134428
2-amino-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 79804940
tert-butyl N-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]carbamate
CID 34555299

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (CID 60703728) is 2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is CCNCC(=O)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is LXQKSCNAUDOJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-2-16-8-11(18)17-7-9-5-3-4-6-10(9)19-12(13,14)15/h3-6,16H,2,7-8H2,1H3,(H,17,18).
What are the key properties of 2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 276.26 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 60703728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).