3-(4-tert-butylphenyl)-2-[2-(trifluoromethyl)phenoxy]propanamide

C20H22F3NO2 — CID 69342374

IUPAC3-(4-tert-butylphenyl)-2-[2-(trifluoromethyl)phenoxy]propanamide
SMILESCC(C)(C)c1ccc(CC(Oc2ccccc2C(F)(F)F)C(N)=O)cc1
InChIInChI=1S/C20H22F3NO2/c1-19(2,3)14-10-8-13(9-11-14)12-17(18(24)25)26-16-7-5-4-6-15(16)20(21,22)23/h4-11,17H,12H2,1-3H3,(H2,24,25)
InChIKeyFNUGKFMYGIXWSE-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.48
Rot. Bonds5

About 3-(4-tert-butylphenyl)-2-[2-(trifluoromethyl)phenoxy]propanamide

3-(4-tert-butylphenyl)-2-[2-(trifluoromethyl)phenoxy]propanamide (PubChem CID 69342374) has the molecular formula C20H22F3NO2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-2-[2-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-2-[2-(trifluoromethyl)phenoxy]propanamide
PubChem CID69342374
Molecular FormulaC20H22F3NO2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name3-(4-tert-butylphenyl)-2-[2-(trifluoromethyl)phenoxy]propanamide
SMILESCC(C)(C)c1ccc(CC(Oc2ccccc2C(F)(F)F)C(N)=O)cc1
InChIInChI=1S/C20H22F3NO2/c1-19(2,3)14-10-8-13(9-11-14)12-17(18(24)25)26-16-7-5-4-6-15(16)20(21,22)23/h4-11,17H,12H2,1-3H3,(H2,24,25)
InChIKeyFNUGKFMYGIXWSE-UHFFFAOYSA-N
XLogP4.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[2-(trifluoromethyl)phenoxy]butanoate
CID 64661650
2-(2-tert-butylphenoxy)-3-(4-iodophenyl)propanoic acid
CID 133221253
2-(2-tert-butylphenoxy)-3-(4-chlorophenyl)propanoic acid
CID 133245386
(2R)-2-(2-tert-butylphenoxy)-3-(4-butylphenyl)propanoic acid
CID 100548911
3-(4-tert-butylphenyl)-2-hydroxypropanamide
CID 69343223
3-(4-tert-butylphenyl)-2-(4-fluorophenyl)propanamide
CID 68577173
1-[2-(trifluoromethyl)phenoxy]ethyl acetate
CID 69255536
methyl 3-[2-(trifluoromethyl)phenoxy]butanoate
CID 43536036
3-(3-bromophenyl)-2-(2-tert-butylphenoxy)propanoic acid
CID 133245408
2-(2-methoxyphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 133245690
3-(4-tert-butylphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 82095196
1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 174057400

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-2-[2-(trifluoromethyl)phenoxy]propanamide (CID 69342374) is 3-(4-tert-butylphenyl)-2-[2-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-2-[2-(trifluoromethyl)phenoxy]propanamide is CC(C)(C)c1ccc(CC(Oc2ccccc2C(F)(F)F)C(N)=O)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is FNUGKFMYGIXWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO2/c1-19(2,3)14-10-8-13(9-11-14)12-17(18(24)25)26-16-7-5-4-6-15(16)20(21,22)23/h4-11,17H,12H2,1-3H3,(H2,24,25).
What are the key properties of 3-(4-tert-butylphenyl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
3-(4-tert-butylphenyl)-2-[2-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 365.40 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-2-[2-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 69342374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).