2-(4-acetamidophenoxy)-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide

C20H21F3N2O3 — CID 10000705

IUPAC2-(4-acetamidophenoxy)-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)NC(C)Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H21F3N2O3/c1-13(10-15-4-3-5-16(11-15)20(21,22)23)24-19(27)12-28-18-8-6-17(7-9-18)25-14(2)26/h3-9,11,13H,10,12H2,1-2H3,(H,24,27)(H,25,26)
InChIKeySKWBJBJQEUEFCY-UHFFFAOYSA-N
MW394.39 g/mol
LogP3.79
Rot. Bonds7

About 2-(4-acetamidophenoxy)-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide

2-(4-acetamidophenoxy)-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide (PubChem CID 10000705) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is 2-(4-acetamidophenoxy)-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenoxy)-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
PubChem CID10000705
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC Name2-(4-acetamidophenoxy)-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)NC(C)Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H21F3N2O3/c1-13(10-15-4-3-5-16(11-15)20(21,22)23)24-19(27)12-28-18-8-6-17(7-9-18)25-14(2)26/h3-9,11,13H,10,12H2,1-2H3,(H,24,27)(H,25,26)
InChIKeySKWBJBJQEUEFCY-UHFFFAOYSA-N
XLogP3.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenoxy)-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide?
The IUPAC name of 2-(4-acetamidophenoxy)-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide (CID 10000705) is 2-(4-acetamidophenoxy)-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenoxy)-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide?
The canonical SMILES for 2-(4-acetamidophenoxy)-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide is CC(=O)Nc1ccc(OCC(=O)NC(C)Cc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-(4-acetamidophenoxy)-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide?
The InChIKey is SKWBJBJQEUEFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-13(10-15-4-3-5-16(11-15)20(21,22)23)24-19(27)12-28-18-8-6-17(7-9-18)25-14(2)26/h3-9,11,13H,10,12H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 2-(4-acetamidophenoxy)-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide?
2-(4-acetamidophenoxy)-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide has a molecular weight of 394.39 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenoxy)-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 10000705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).