2,2-dimethyl-N-[2-(trideuteriomethyl)-3-(trifluoromethyl)phenyl]propanamide

C13H16F3NO — CID 46782328

IUPAC2,2-dimethyl-N-[2-(trideuteriomethyl)-3-(trifluoromethyl)phenyl]propanamide
SMILES[2H]C([2H])([2H])c1c(NC(=O)C(C)(C)C)cccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-8-9(13(14,15)16)6-5-7-10(8)17-11(18)12(2,3)4/h5-7H,1-4H3,(H,17,18)/i1D3
InChIKeyBTZICTAKSVSHCJ-FIBGUPNXSA-N
MW262.29 g/mol
LogP4.00
Rot. Bonds2

About 2,2-dimethyl-N-[2-(trideuteriomethyl)-3-(trifluoromethyl)phenyl]propanamide

2,2-dimethyl-N-[2-(trideuteriomethyl)-3-(trifluoromethyl)phenyl]propanamide (PubChem CID 46782328) has the molecular formula C13H16F3NO and a molecular weight of 262.29 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(trideuteriomethyl)-3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(trideuteriomethyl)-3-(trifluoromethyl)phenyl]propanamide
PubChem CID46782328
Molecular FormulaC13H16F3NO
Molecular Weight262.29 g/mol
Exact Mass262.14
IUPAC Name2,2-dimethyl-N-[2-(trideuteriomethyl)-3-(trifluoromethyl)phenyl]propanamide
SMILES[2H]C([2H])([2H])c1c(NC(=O)C(C)(C)C)cccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-8-9(13(14,15)16)6-5-7-10(8)17-11(18)12(2,3)4/h5-7H,1-4H3,(H,17,18)/i1D3
InChIKeyBTZICTAKSVSHCJ-FIBGUPNXSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 66867834
N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108968156
N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 141287633
2-methyl-2-(methylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 62834657
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 59677530
2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 4927442
N-[6-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 11140927
2-(cyclopropylmethylamino)-N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119709174
N-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide
CID 64590909
N-[[2-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]acetamide
CID 86799382
2-(4-fluorophenyl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113197454
methyl 2-(2,2-dimethylpropanoylamino)benzoate
CID 546733

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(trideuteriomethyl)-3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(trideuteriomethyl)-3-(trifluoromethyl)phenyl]propanamide (CID 46782328) is 2,2-dimethyl-N-[2-(trideuteriomethyl)-3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(trideuteriomethyl)-3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(trideuteriomethyl)-3-(trifluoromethyl)phenyl]propanamide is [2H]C([2H])([2H])c1c(NC(=O)C(C)(C)C)cccc1C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N-[2-(trideuteriomethyl)-3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is BTZICTAKSVSHCJ-FIBGUPNXSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-8-9(13(14,15)16)6-5-7-10(8)17-11(18)12(2,3)4/h5-7H,1-4H3,(H,17,18)/i1D3.
What are the key properties of 2,2-dimethyl-N-[2-(trideuteriomethyl)-3-(trifluoromethyl)phenyl]propanamide?
2,2-dimethyl-N-[2-(trideuteriomethyl)-3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 262.29 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(trideuteriomethyl)-3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 46782328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).