2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide

C12H15F3N2O2 — CID 61389475

IUPAC2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-7(2)17-11(18)6-19-10-4-3-8(16)5-9(10)12(13,14)15/h3-5,7H,6,16H2,1-2H3,(H,17,18)
InChIKeyZOIMWVFNBYSBBZ-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.19
Rot. Bonds4

About 2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide

2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide (PubChem CID 61389475) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide
PubChem CID61389475
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-7(2)17-11(18)6-19-10-4-3-8(16)5-9(10)12(13,14)15/h3-5,7H,6,16H2,1-2H3,(H,17,18)
InChIKeyZOIMWVFNBYSBBZ-UHFFFAOYSA-N
XLogP2.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-oxo-2-(propan-2-ylamino)ethoxy]-3-(trifluoromethyl)benzoic acid
CID 63320445
2-(5-amino-2-methylphenoxy)-N-propan-2-ylacetamide
CID 43520249
2-[3-amino-4-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide
CID 171392196
3-[4-amino-2-(trifluoromethyl)phenoxy]-N-methylpropanamide
CID 62324537
N-methyl-2-[4-[(propan-2-ylamino)methyl]-2-(trifluoromethyl)phenoxy]acetamide
CID 63320110
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-propan-2-ylacetamide
CID 107692678
2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propylpropanamide
CID 61388884
2-[2-bromo-4-(trifluoromethoxy)phenoxy]-N-propan-2-ylacetamide
CID 165412358
2-(4-amino-2-fluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 54957165
2-(2-fluoro-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 167446728
2-[4-amino-2-(trifluoromethyl)phenoxy]-N,N-diethylpropanamide
CID 61389463
benzyl 2-[4-amino-2-(trifluoromethyl)phenoxy]acetate
CID 154815329

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide (CID 61389475) is 2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide is CC(C)NC(=O)COc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of 2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide?
The InChIKey is ZOIMWVFNBYSBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-7(2)17-11(18)6-19-10-4-3-8(16)5-9(10)12(13,14)15/h3-5,7H,6,16H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide?
2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide has a molecular weight of 276.26 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 61389475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).