N-[2,6-di(propan-2-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide

C21H24F3NO2 — CID 39088271

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)COc1ccccc1C(F)(F)F
InChIInChI=1S/C21H24F3NO2/c1-13(2)15-8-7-9-16(14(3)4)20(15)25-19(26)12-27-18-11-6-5-10-17(18)21(22,23)24/h5-11,13-14H,12H2,1-4H3,(H,25,26)
InChIKeyUCUFGIFNNLHRCF-UHFFFAOYSA-N
MW379.42 g/mol
LogP5.97
Rot. Bonds6

About N-[2,6-di(propan-2-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide (PubChem CID 39088271) has the molecular formula C21H24F3NO2 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
PubChem CID39088271
Molecular FormulaC21H24F3NO2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)COc1ccccc1C(F)(F)F
InChIInChI=1S/C21H24F3NO2/c1-13(2)15-8-7-9-16(14(3)4)20(15)25-19(26)12-27-18-11-6-5-10-17(18)21(22,23)24/h5-11,13-14H,12H2,1-4H3,(H,25,26)
InChIKeyUCUFGIFNNLHRCF-UHFFFAOYSA-N
XLogP5.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethoxy]benzamide
CID 8008131
N-[2,6-di(propan-2-yl)phenyl]-2-(2-formylphenoxy)acetamide
CID 7762730
N-(2,6-dichlorophenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 54785981
2-(2-chlorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 727454
2-(2-acetylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 112781602
N-[2,6-di(propan-2-yl)phenyl]-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 41402308
N-(4-hydroxyphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 164545151
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 40575021
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46686572
N-[2,6-di(propan-2-yl)phenyl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide
CID 7986587
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetate
CID 16543888
(2S,3S)-3-methyl-2-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]pentanoic acid
CID 119193813

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide (CID 39088271) is N-[2,6-di(propan-2-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)COc1ccccc1C(F)(F)F.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is UCUFGIFNNLHRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3NO2/c1-13(2)15-8-7-9-16(14(3)4)20(15)25-19(26)12-27-18-11-6-5-10-17(18)21(22,23)24/h5-11,13-14H,12H2,1-4H3,(H,25,26).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 379.42 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 39088271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).