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

C11H13F3N2O2 — CID 69274934

IUPAC2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide
SMILESNC(=O)CNCCOc1ccccc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O2/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)
InChIKeyCBENPJORZXZHSC-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.16
Rot. Bonds6

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

2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide (PubChem CID 69274934) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide.

Molecular Properties

Compound Name2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide
PubChem CID69274934
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide
SMILESNC(=O)CNCCOc1ccccc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O2/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)
InChIKeyCBENPJORZXZHSC-UHFFFAOYSA-N
XLogP1.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.16
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;hydrochloride
CID 69274933
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
2-[2-[2-(trifluoromethyl)phenoxy]ethyl]guanidine
CID 111107570
5-[2-(trifluoromethyl)phenoxy]pentan-2-one
CID 43793519
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide?
The IUPAC name of 2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide (CID 69274934) is 2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide.
What is the SMILES notation for 2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide?
The canonical SMILES for 2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide is NC(=O)CNCCOc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide?
The InChIKey is CBENPJORZXZHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/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).
What are the key properties of 2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide?
2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide has a molecular weight of 262.23 g/mol, XLogP of 1.16, 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 is sourced from PubChem (CID 69274934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).