2-[3-amino-4-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide

C12H15F3N2O2 — CID 171392196

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

About 2-[3-amino-4-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide

2-[3-amino-4-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide (PubChem CID 171392196) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[3-amino-4-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-amino-4-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide
PubChem CID171392196
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-[3-amino-4-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(C(F)(F)F)c(N)c1
InChIInChI=1S/C12H15F3N2O2/c1-7(2)17-11(18)6-19-8-3-4-9(10(16)5-8)12(13,14)15/h3-5,7H,6,16H2,1-2H3,(H,17,18)
InChIKeyRYQBBGMPKHPRAE-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

2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide
CID 61389475
2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-propan-2-ylacetamide
CID 29405533
2-[1-ethyl-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxy-N-propan-2-ylacetamide
CID 42877957
4-[2-oxo-2-(propan-2-ylamino)ethoxy]-3-(trifluoromethyl)benzoic acid
CID 63320445
2-[3-amino-4-(trifluoromethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone
CID 171392213
2-(3-fluorophenoxy)-N-propan-2-ylacetamide
CID 60626005
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylacetamide
CID 84602074
2-(3,5-dichlorophenoxy)-N-propan-2-ylacetamide
CID 84603835
2-(3-methoxyphenoxy)-N-propan-2-ylacetamide
CID 4149029
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
5-[(4-propan-2-ylphenyl)methoxy]-2-(trifluoromethyl)aniline
CID 163465016
2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide
CID 4732908

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-amino-4-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide (CID 171392196) is 2-[3-amino-4-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-amino-4-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-amino-4-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide is CC(C)NC(=O)COc1ccc(C(F)(F)F)c(N)c1.
What is the InChIKey of 2-[3-amino-4-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide?
The InChIKey is RYQBBGMPKHPRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-7(2)17-11(18)6-19-8-3-4-9(10(16)5-8)12(13,14)15/h3-5,7H,6,16H2,1-2H3,(H,17,18).
What are the key properties of 2-[3-amino-4-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide?
2-[3-amino-4-(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-[3-amino-4-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 171392196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).