3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide

C16H14F3NO2 — CID 16572159

IUPAC3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C16H14F3NO2/c1-10-7-11(2)9-12(8-10)15(21)20-13-5-3-4-6-14(13)22-16(17,18)19/h3-9H,1-2H3,(H,20,21)
InChIKeyIESKKGWIUBFDGI-UHFFFAOYSA-N
MW309.29 g/mol
LogP4.45
Rot. Bonds3

About 3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide

3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide (PubChem CID 16572159) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide
PubChem CID16572159
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C16H14F3NO2/c1-10-7-11(2)9-12(8-10)15(21)20-13-5-3-4-6-14(13)22-16(17,18)19/h3-9H,1-2H3,(H,20,21)
InChIKeyIESKKGWIUBFDGI-UHFFFAOYSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034347
N-[2-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 16572142
6-methyl-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 18149472
2-methyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 17395074
2,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]thiophene-3-carboxamide
CID 43034383
4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 788210
6-oxo-N-[2-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide
CID 28880165
6-methoxy-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 35204389
3-(methylsulfonylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16572209
N-(2-iodophenyl)-3,5-dimethylbenzamide
CID 2118558
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 24525403
4-amino-N-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 43642919

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide (CID 16572159) is 3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide is Cc1cc(C)cc(C(=O)Nc2ccccc2OC(F)(F)F)c1.
What is the InChIKey of 3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is IESKKGWIUBFDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c1-10-7-11(2)9-12(8-10)15(21)20-13-5-3-4-6-14(13)22-16(17,18)19/h3-9H,1-2H3,(H,20,21).
What are the key properties of 3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide?
3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 309.29 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 16572159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).