2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)benzamide

C17H16F3NO — CID 7899789

IUPAC2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccccc2C(F)(F)F)c(C)c1
InChIInChI=1S/C17H16F3NO/c1-10-8-11(2)15(12(3)9-10)21-16(22)13-6-4-5-7-14(13)17(18,19)20/h4-9H,1-3H3,(H,21,22)
InChIKeyBBALIAFPIYLDRI-UHFFFAOYSA-N
MW307.31 g/mol
LogP4.88
Rot. Bonds2

About 2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)benzamide

2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)benzamide (PubChem CID 7899789) has the molecular formula C17H16F3NO and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound Name2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)benzamide
PubChem CID7899789
Molecular FormulaC17H16F3NO
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccccc2C(F)(F)F)c(C)c1
InChIInChI=1S/C17H16F3NO/c1-10-8-11(2)15(12(3)9-10)21-16(22)13-6-4-5-7-14(13)17(18,19)20/h4-9H,1-3H3,(H,21,22)
InChIKeyBBALIAFPIYLDRI-UHFFFAOYSA-N
XLogP4.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 16774965
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(trifluoromethyl)benzamide
CID 27783992
2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid
CID 2249172
N-(3-methylphenyl)-2-(trifluoromethyl)benzamide
CID 846758
N-[3-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide
CID 87595402
methyl 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoate
CID 108785438
2-hydrazinyl-N-(2,4,6-trimethylphenyl)benzamide
CID 62235197
N-(4,6-dimethylpyrimidin-2-yl)-2-(trifluoromethyl)benzamide
CID 108808047
2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 8760033
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide
CID 43546989
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
CID 121137096
N-(5-acetamido-2-methylphenyl)-2-(trifluoromethyl)benzamide
CID 108796783

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)benzamide?
The IUPAC name of 2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)benzamide (CID 7899789) is 2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for 2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for 2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)benzamide is Cc1cc(C)c(NC(=O)c2ccccc2C(F)(F)F)c(C)c1.
What is the InChIKey of 2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)benzamide?
The InChIKey is BBALIAFPIYLDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO/c1-10-8-11(2)15(12(3)9-10)21-16(22)13-6-4-5-7-14(13)17(18,19)20/h4-9H,1-3H3,(H,21,22).
What are the key properties of 2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)benzamide?
2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)benzamide has a molecular weight of 307.31 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 7899789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).