2-(5-amino-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

C11H13F3N2O3 — CID 61492512

IUPAC2-(5-amino-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1ccc(N)cc1OCC(=O)NCC(F)(F)F
InChIInChI=1S/C11H13F3N2O3/c1-18-8-3-2-7(15)4-9(8)19-5-10(17)16-6-11(12,13)14/h2-4H,5-6,15H2,1H3,(H,16,17)
InChIKeyXWKKBDMOHQQMHX-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.33
Rot. Bonds5

About 2-(5-amino-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

2-(5-amino-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61492512) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-(5-amino-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61492512
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name2-(5-amino-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1ccc(N)cc1OCC(=O)NCC(F)(F)F
InChIInChI=1S/C11H13F3N2O3/c1-18-8-3-2-7(15)4-9(8)19-5-10(17)16-6-11(12,13)14/h2-4H,5-6,15H2,1H3,(H,16,17)
InChIKeyXWKKBDMOHQQMHX-UHFFFAOYSA-N
XLogP1.33
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-amino-2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 54961587
2-(5-amino-2-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 61486316
2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492602
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 78933804
2-(4-amino-2-methoxyphenoxy)-N-(cyanomethyl)acetamide
CID 62109940
2-(5-amino-2-methoxyphenoxy)acetic acid
CID 59419305
2-(2-amino-4-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 54962260
methyl 3-(5-amino-2-methoxyphenoxy)-2,2-dimethylpropanoate
CID 79622855
2-(4-amino-2,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 55159605
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 107698258
3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51166529
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-bromo-4-methoxybenzoate
CID 8876068

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-amino-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (CID 61492512) is 2-(5-amino-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-amino-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-amino-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide is COc1ccc(N)cc1OCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(5-amino-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XWKKBDMOHQQMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-18-8-3-2-7(15)4-9(8)19-5-10(17)16-6-11(12,13)14/h2-4H,5-6,15H2,1H3,(H,16,17).
What are the key properties of 2-(5-amino-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-amino-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 278.23 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61492512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).