2-(4-fluorophenyl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide

C17H15F4NO — CID 113197454

IUPAC2-(4-fluorophenyl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)(C(=O)Nc1ccccc1C(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C17H15F4NO/c1-16(2,11-7-9-12(18)10-8-11)15(23)22-14-6-4-3-5-13(14)17(19,20)21/h3-10H,1-2H3,(H,22,23)
InChIKeyVQVIJVFSIIVAPN-UHFFFAOYSA-N
MW325.31 g/mol
LogP4.76
Rot. Bonds3

About 2-(4-fluorophenyl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide

2-(4-fluorophenyl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 113197454) has the molecular formula C17H15F4NO and a molecular weight of 325.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID113197454
Molecular FormulaC17H15F4NO
Molecular Weight325.31 g/mol
Exact Mass325.11
IUPAC Name2-(4-fluorophenyl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)(C(=O)Nc1ccccc1C(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C17H15F4NO/c1-16(2,11-7-9-12(18)10-8-11)15(23)22-14-6-4-3-5-13(14)17(19,20)21/h3-10H,1-2H3,(H,22,23)
InChIKeyVQVIJVFSIIVAPN-UHFFFAOYSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108962615
2-methyl-2-(methylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 62834657
2-methyl-2-(2-methyl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113211632
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
4-fluoro-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 881642
N-(4-acetamidophenyl)-2-(4-fluorophenyl)-2-methylpropanamide
CID 113197459
N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108968156
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 59677530
N-[2-(trifluoromethyl)phenyl]carbamoyl chloride
CID 84820766
2-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 113197369
N-(4-chloro-2-methylphenyl)-2-(4-fluorophenyl)-2-methylpropanamide
CID 113197436
N-benzyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108961605

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(4-fluorophenyl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide (CID 113197454) is 2-(4-fluorophenyl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(4-fluorophenyl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide is CC(C)(C(=O)Nc1ccccc1C(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is VQVIJVFSIIVAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4NO/c1-16(2,11-7-9-12(18)10-8-11)15(23)22-14-6-4-3-5-13(14)17(19,20)21/h3-10H,1-2H3,(H,22,23).
What are the key properties of 2-(4-fluorophenyl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide?
2-(4-fluorophenyl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 325.31 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 113197454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).