2-(2-acetamidophenoxy)-N-(2,2,2-trifluoroethyl)acetamide

C12H13F3N2O3 — CID 2446550

IUPAC2-(2-acetamidophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)NCC(F)(F)F
InChIInChI=1S/C12H13F3N2O3/c1-8(18)17-9-4-2-3-5-10(9)20-6-11(19)16-7-12(13,14)15/h2-5H,6-7H2,1H3,(H,16,19)(H,17,18)
InChIKeyZRZWEYWXJFQDEG-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.70
Rot. Bonds5

About 2-(2-acetamidophenoxy)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-acetamidophenoxy)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 2446550) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 2-(2-acetamidophenoxy)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-acetamidophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID2446550
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name2-(2-acetamidophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)NCC(F)(F)F
InChIInChI=1S/C12H13F3N2O3/c1-8(18)17-9-4-2-3-5-10(9)20-6-11(19)16-7-12(13,14)15/h2-5H,6-7H2,1H3,(H,16,19)(H,17,18)
InChIKeyZRZWEYWXJFQDEG-UHFFFAOYSA-N
XLogP1.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-acetamidophenoxy)-N-(2,2,2-trifluoroethyl)acetamide (CID 2446550) is 2-(2-acetamidophenoxy)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-acetamidophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-acetamidophenoxy)-N-(2,2,2-trifluoroethyl)acetamide is CC(=O)Nc1ccccc1OCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-acetamidophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ZRZWEYWXJFQDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c1-8(18)17-9-4-2-3-5-10(9)20-6-11(19)16-7-12(13,14)15/h2-5H,6-7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-(2-acetamidophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-acetamidophenoxy)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 290.24 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidophenoxy)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 2446550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).