2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide

C13H16F3NO — CID 66475481

IUPAC2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C13H16F3NO/c1-8-5-6-9(13(14,15)16)7-10(8)17-11(18)12(2,3)4/h5-7H,1-4H3,(H,17,18)
InChIKeyRDOMIXRXUQRLEV-UHFFFAOYSA-N
MW259.27 g/mol
LogP4.00
Rot. Bonds1

About 2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide

2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 66475481) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide
PubChem CID66475481
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C13H16F3NO/c1-8-5-6-9(13(14,15)16)7-10(8)17-11(18)12(2,3)4/h5-7H,1-4H3,(H,17,18)
InChIKeyRDOMIXRXUQRLEV-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,2-dimethylpropanoylamino)-4-(trifluoromethyl)benzoic acid
CID 79532501
2-cyano-2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide
CID 114291644
2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 143016974
4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66480354
4-hydroxy-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide
CID 79192569
3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119280151
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,2-dimethyl-N'-(2-methylphenyl)propanediamide
CID 108967285
1-butyl-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
CID 115670789
(2S)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 66478130
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
CID 111566330
N-[2-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-yloxyacetamide
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N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide (CID 66475481) is 2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide is Cc1ccc(C(F)(F)F)cc1NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is RDOMIXRXUQRLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-8-5-6-9(13(14,15)16)7-10(8)17-11(18)12(2,3)4/h5-7H,1-4H3,(H,17,18).
What are the key properties of 2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide?
2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 259.27 g/mol, XLogP of 4.00, 1 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-methyl-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 66475481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).