2-(4-tert-butylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide

C21H22F3NO3 — CID 143180145

IUPAC2-(4-tert-butylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NCC(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C21H22F3NO3/c1-20(2,3)14-8-10-15(11-9-14)28-13-19(27)25-12-18(26)16-6-4-5-7-17(16)21(22,23)24/h4-11H,12-13H2,1-3H3,(H,25,27)
InChIKeyZUGDGEARBRZDMP-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.38
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide

2-(4-tert-butylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 143180145) has the molecular formula C21H22F3NO3 and a molecular weight of 393.41 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID143180145
Molecular FormulaC21H22F3NO3
Molecular Weight393.41 g/mol
Exact Mass393.16
IUPAC Name2-(4-tert-butylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NCC(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C21H22F3NO3/c1-20(2,3)14-8-10-15(11-9-14)28-13-19(27)25-12-18(26)16-6-4-5-7-17(16)21(22,23)24/h4-11H,12-13H2,1-3H3,(H,25,27)
InChIKeyZUGDGEARBRZDMP-UHFFFAOYSA-N
XLogP4.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenyl)-2-oxoethyl]acetamide
CID 11710214
2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1185791
2-(4-tert-butylphenoxy)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 7750374
2-(4-tert-butylphenoxy)-N-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]acetamide
CID 11559184
N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(trifluoromethyl)benzamide
CID 47064047
2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 8510054
N-propyl-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 8510023
N-(2-tert-butylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 112997501
1-[2-(4-tert-butylphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 112972906
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
2-(4-tert-butylphenoxy)-N-(trimethylsilylmethyl)acetamide
CID 58856613
2-(4-tert-butylphenoxy)-1-(2-chlorophenyl)ethanone
CID 43412130

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide (CID 143180145) is 2-(4-tert-butylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide is CC(C)(C)c1ccc(OCC(=O)NCC(=O)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is ZUGDGEARBRZDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO3/c1-20(2,3)14-8-10-15(11-9-14)28-13-19(27)25-12-18(26)16-6-4-5-7-17(16)21(22,23)24/h4-11H,12-13H2,1-3H3,(H,25,27).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide?
2-(4-tert-butylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 393.41 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 143180145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).