2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide;hydrochloride

C11H14ClF3N2O2 — CID 69274933

IUPAC2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide;hydrochloride
SMILESCl.NC(=O)CNCCOc1ccccc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O2.ClH/c12-11(13,14)8-3-1-2-4-9(8)18-6-5-16-7-10(15)17;/h1-4,16H,5-7H2,(H2,15,17);1H
InChIKeyHCKOTLCPIXPNCY-UHFFFAOYSA-N
MW298.69 g/mol
LogP1.58
Rot. Bonds6

About 2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide;hydrochloride

2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide;hydrochloride (PubChem CID 69274933) has the molecular formula C11H14ClF3N2O2 and a molecular weight of 298.69 g/mol. Its IUPAC name is 2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide;hydrochloride
PubChem CID69274933
Molecular FormulaC11H14ClF3N2O2
Molecular Weight298.69 g/mol
Exact Mass298.07
IUPAC Name2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide;hydrochloride
SMILESCl.NC(=O)CNCCOc1ccccc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O2.ClH/c12-11(13,14)8-3-1-2-4-9(8)18-6-5-16-7-10(15)17;/h1-4,16H,5-7H2,(H2,15,17);1H
InChIKeyHCKOTLCPIXPNCY-UHFFFAOYSA-N
XLogP1.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.69
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide
CID 69274934
N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propan-1-amine
CID 13344556
N-benzyl-2-[2-(trifluoromethyl)phenoxy]ethanamine
CID 62571624
N-[2-(2-methoxyphenoxy)ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46546443
hydrazinyl 3-[2-(trifluoromethyl)phenoxy]propanoate
CID 66337646
1-amino-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]cyclohexane-1-carboxamide
CID 119320389
2-amino-3-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide
CID 119778077
N',N'-diethyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]ethane-1,2-diamine
CID 62570841
2-amino-2-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide
CID 119778089
N-[2-(2-tert-butylphenoxy)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119780509
2-[2-[2-(trifluoromethyl)phenoxy]ethyl]guanidine
CID 111107570
5-[2-(trifluoromethyl)phenoxy]pentan-2-one
CID 43793519

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide;hydrochloride?
The IUPAC name of 2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide;hydrochloride (CID 69274933) is 2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide;hydrochloride.
What is the SMILES notation for 2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide;hydrochloride?
The canonical SMILES for 2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide;hydrochloride is Cl.NC(=O)CNCCOc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide;hydrochloride?
The InChIKey is HCKOTLCPIXPNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2.ClH/c12-11(13,14)8-3-1-2-4-9(8)18-6-5-16-7-10(15)17;/h1-4,16H,5-7H2,(H2,15,17);1H.
What are the key properties of 2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide;hydrochloride?
2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide;hydrochloride has a molecular weight of 298.69 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide;hydrochloride is sourced from PubChem (CID 69274933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).