N-(2-benzoyl-4-methylphenyl)-2,2,2-trifluoroacetamide

C16H12F3NO2 — CID 4702291

IUPACN-(2-benzoyl-4-methylphenyl)-2,2,2-trifluoroacetamide
SMILESCc1ccc(NC(=O)C(F)(F)F)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C16H12F3NO2/c1-10-7-8-13(20-15(22)16(17,18)19)12(9-10)14(21)11-5-3-2-4-6-11/h2-9H,1H3,(H,20,22)
InChIKeyXCGGKTQSQMLFII-UHFFFAOYSA-N
MW307.27 g/mol
LogP3.73
Rot. Bonds3

About N-(2-benzoyl-4-methylphenyl)-2,2,2-trifluoroacetamide

N-(2-benzoyl-4-methylphenyl)-2,2,2-trifluoroacetamide (PubChem CID 4702291) has the molecular formula C16H12F3NO2 and a molecular weight of 307.27 g/mol. Its IUPAC name is N-(2-benzoyl-4-methylphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-methylphenyl)-2,2,2-trifluoroacetamide
PubChem CID4702291
Molecular FormulaC16H12F3NO2
Molecular Weight307.27 g/mol
Exact Mass307.08
IUPAC NameN-(2-benzoyl-4-methylphenyl)-2,2,2-trifluoroacetamide
SMILESCc1ccc(NC(=O)C(F)(F)F)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C16H12F3NO2/c1-10-7-8-13(20-15(22)16(17,18)19)12(9-10)14(21)11-5-3-2-4-6-11/h2-9H,1H3,(H,20,22)
InChIKeyXCGGKTQSQMLFII-UHFFFAOYSA-N
XLogP3.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 2313037
N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
N-(2-benzoyl-4-methylphenyl)-2,6-dimethoxybenzamide
CID 7092358
[2-(cyclopropylmethylamino)-5-methylphenyl]-phenylmethanone
CID 163846803
N-(2-diphenylphosphoryl-4-methylphenyl)-2,2,2-trifluoroacetamide
CID 102411791
N-(2-benzoyl-4-methylphenyl)-2-(2-methylpropanoylamino)benzamide
CID 4829157
4-[(2-benzoyl-4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 959593
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 16880182
N-[2-(2-benzoylanilino)-2-oxoethyl]-2,2,2-trifluoroacetamide
CID 166070237
N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylacetamide
CID 1360092
N-(2-benzoyl-4-methylphenyl)-4-ethylsulfanylbenzamide
CID 41044372
N-(2-benzoyl-4-methylphenyl)-4-(4-fluorophenyl)sulfanylbutanamide
CID 41086955

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-methylphenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-benzoyl-4-methylphenyl)-2,2,2-trifluoroacetamide (CID 4702291) is N-(2-benzoyl-4-methylphenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-benzoyl-4-methylphenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-benzoyl-4-methylphenyl)-2,2,2-trifluoroacetamide is Cc1ccc(NC(=O)C(F)(F)F)c(C(=O)c2ccccc2)c1.
What is the InChIKey of N-(2-benzoyl-4-methylphenyl)-2,2,2-trifluoroacetamide?
The InChIKey is XCGGKTQSQMLFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO2/c1-10-7-8-13(20-15(22)16(17,18)19)12(9-10)14(21)11-5-3-2-4-6-11/h2-9H,1H3,(H,20,22).
What are the key properties of N-(2-benzoyl-4-methylphenyl)-2,2,2-trifluoroacetamide?
N-(2-benzoyl-4-methylphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 307.27 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-methylphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 4702291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).