3-methyl-5-(trifluoromethyl)benzamide

C9H8F3NO — CID 2775571

IUPAC3-methyl-5-(trifluoromethyl)benzamide
SMILESCc1cc(C(N)=O)cc(C(F)(F)F)c1
InChIInChI=1S/C9H8F3NO/c1-5-2-6(8(13)14)4-7(3-5)9(10,11)12/h2-4H,1H3,(H2,13,14)
InChIKeyMODXUPCJDALZQM-UHFFFAOYSA-N
MW203.16 g/mol
LogP2.11
Rot. Bonds1

About 3-methyl-5-(trifluoromethyl)benzamide

3-methyl-5-(trifluoromethyl)benzamide (PubChem CID 2775571) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)benzamide
PubChem CID2775571
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC Name3-methyl-5-(trifluoromethyl)benzamide
SMILESCc1cc(C(N)=O)cc(C(F)(F)F)c1
InChIInChI=1S/C9H8F3NO/c1-5-2-6(8(13)14)4-7(3-5)9(10,11)12/h2-4H,1H3,(H2,13,14)
InChIKeyMODXUPCJDALZQM-UHFFFAOYSA-N
XLogP2.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-tert-butyl-5-methylbenzamide
CID 59479391
3-tert-butyl-5-(trifluoromethyl)benzamide
CID 176746545
cyclopropyl-[3-methyl-5-(trifluoromethyl)phenyl]methanone
CID 168950566
1-bromo-3-methyl-5-(trifluoromethyl)benzene;3-methyl-5-(trifluoromethyl)benzoic acid
CID 160510157
3-methyl-5-(trifluoromethyl)benzoic acid;[3-methyl-5-(trifluoromethyl)phenyl]methanol
CID 158005309
1-methyl-3-(1,2,2-trichloroethenyl)-5-(trifluoromethyl)benzene
CID 23036241
N-methoxy-N,3-dimethyl-5-(trifluoromethyl)benzamide
CID 58319295
N-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanimine
CID 138698853
3-methyl-N-propyl-5-(trifluoromethyl)benzamide
CID 71119889
1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301
3-(difluoromethoxy)-5-(trifluoromethyl)benzamide
CID 175797774
3-methyl-5-methylsulfonylbenzamide
CID 58154492

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-methyl-5-(trifluoromethyl)benzamide (CID 2775571) is 3-methyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)benzamide is Cc1cc(C(N)=O)cc(C(F)(F)F)c1.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)benzamide?
The InChIKey is MODXUPCJDALZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO/c1-5-2-6(8(13)14)4-7(3-5)9(10,11)12/h2-4H,1H3,(H2,13,14).
What are the key properties of 3-methyl-5-(trifluoromethyl)benzamide?
3-methyl-5-(trifluoromethyl)benzamide has a molecular weight of 203.16 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 2775571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).