N-[1-(4-acetylphenyl)-2-methylpropan-2-yl]-2,2,2-trifluoroacetamide

C14H16F3NO2 — CID 18532924

IUPACN-[1-(4-acetylphenyl)-2-methylpropan-2-yl]-2,2,2-trifluoroacetamide
SMILESCC(=O)c1ccc(CC(C)(C)NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO2/c1-9(19)11-6-4-10(5-7-11)8-13(2,3)18-12(20)14(15,16)17/h4-7H,8H2,1-3H3,(H,18,20)
InChIKeyZTEMEOJYKJAQDR-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.89
Rot. Bonds4

About N-[1-(4-acetylphenyl)-2-methylpropan-2-yl]-2,2,2-trifluoroacetamide

N-[1-(4-acetylphenyl)-2-methylpropan-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 18532924) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-[1-(4-acetylphenyl)-2-methylpropan-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-(4-acetylphenyl)-2-methylpropan-2-yl]-2,2,2-trifluoroacetamide
PubChem CID18532924
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC NameN-[1-(4-acetylphenyl)-2-methylpropan-2-yl]-2,2,2-trifluoroacetamide
SMILESCC(=O)c1ccc(CC(C)(C)NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO2/c1-9(19)11-6-4-10(5-7-11)8-13(2,3)18-12(20)14(15,16)17/h4-7H,8H2,1-3H3,(H,18,20)
InChIKeyZTEMEOJYKJAQDR-UHFFFAOYSA-N
XLogP2.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Tert-butylamino)-1-p-tolylpropan-1-one
CID 45487941
2-(Methylamino)-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 71550921
n-Hydroxy-7-(4-trifluoromethylbenzoyl)heptanamide
CID 11001628
2-(Tert-butylamino)-1-(3,4-difluorophenyl)propan-1-one
CID 44543264
N,N'-di-tert-butylterephthalamide
CID 272224
N-(4-oxo-2,4-diphenylbutan-2-yl)acetamide
CID 2827015
N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)benzamide
CID 25023822
N-(1,1-dimethylpropyl)-2-(4-methylphenyl)acetamide
CID 977845
N,N-dipropyl-4-(2,2,2-trifluoroacetyl)benzamide
CID 44438403
N-hexyl-4-(2,2,2-trifluoroacetyl)benzamide
CID 44438409
N-(heptan-2-yl)-4-(2,2,2-trifluoroacetyl)benzamide
CID 44438410
N-(4-methylpentan-2-yl)-4-(2,2,2-trifluoroacetyl)benzamide
CID 44438414

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetylphenyl)-2-methylpropan-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-(4-acetylphenyl)-2-methylpropan-2-yl]-2,2,2-trifluoroacetamide (CID 18532924) is N-[1-(4-acetylphenyl)-2-methylpropan-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-(4-acetylphenyl)-2-methylpropan-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-(4-acetylphenyl)-2-methylpropan-2-yl]-2,2,2-trifluoroacetamide is CC(=O)c1ccc(CC(C)(C)NC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[1-(4-acetylphenyl)-2-methylpropan-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is ZTEMEOJYKJAQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-9(19)11-6-4-10(5-7-11)8-13(2,3)18-12(20)14(15,16)17/h4-7H,8H2,1-3H3,(H,18,20).
What are the key properties of N-[1-(4-acetylphenyl)-2-methylpropan-2-yl]-2,2,2-trifluoroacetamide?
N-[1-(4-acetylphenyl)-2-methylpropan-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 287.28 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetylphenyl)-2-methylpropan-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 18532924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).