2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide

C11H13F3N2O — CID 16771420

IUPAC2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide
SMILESCC(NCC(N)=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O/c1-7(16-6-10(15)17)8-4-2-3-5-9(8)11(12,13)14/h2-5,7,16H,6H2,1H3,(H2,15,17)
InChIKeyIZOKWUGBFFRDQM-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.84
Rot. Bonds4

About 2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide

2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide (PubChem CID 16771420) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide.

Molecular Properties

Compound Name2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide
PubChem CID16771420
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide
SMILESCC(NCC(N)=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O/c1-7(16-6-10(15)17)8-4-2-3-5-9(8)11(12,13)14/h2-5,7,16H,6H2,1H3,(H2,15,17)
InChIKeyIZOKWUGBFFRDQM-UHFFFAOYSA-N
XLogP1.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 16770602
2-methyl-N-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
CID 43111148
2-[1-(2-fluorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18086069
N-(2-ethylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 75427916
N-(2-methylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 54931550
4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pentan-1-amine
CID 63452516
methyl (2S)-3-methyl-2-[1-[2-(trifluoromethyl)phenyl]ethylamino]butanoate
CID 43452194
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol
CID 65310633
1-(2-amino-2-oxoethyl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 70760706
N-[(1-methylcyclopropyl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 113348726
1-[2-(trifluoromethyl)phenyl]ethyl hydrogen carbonate
CID 67316617
2-[1-(2,5-difluorophenyl)ethylamino]acetamide
CID 16773661

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide?
The IUPAC name of 2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide (CID 16771420) is 2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide.
What is the SMILES notation for 2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide?
The canonical SMILES for 2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide is CC(NCC(N)=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide?
The InChIKey is IZOKWUGBFFRDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-7(16-6-10(15)17)8-4-2-3-5-9(8)11(12,13)14/h2-5,7,16H,6H2,1H3,(H2,15,17).
What are the key properties of 2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide?
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide has a molecular weight of 246.23 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide is sourced from PubChem (CID 16771420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).