2-[2-methyl-3-(trifluoromethyl)phenyl]benzamide

C15H12F3NO — CID 69461429

IUPAC2-[2-methyl-3-(trifluoromethyl)phenyl]benzamide
SMILESCc1c(-c2ccccc2C(N)=O)cccc1C(F)(F)F
InChIInChI=1S/C15H12F3NO/c1-9-10(7-4-8-13(9)15(16,17)18)11-5-2-3-6-12(11)14(19)20/h2-8H,1H3,(H2,19,20)
InChIKeyNELQUFXCBPMBPI-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.78
Rot. Bonds2

About 2-[2-methyl-3-(trifluoromethyl)phenyl]benzamide

2-[2-methyl-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 69461429) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-[2-methyl-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[2-methyl-3-(trifluoromethyl)phenyl]benzamide
PubChem CID69461429
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name2-[2-methyl-3-(trifluoromethyl)phenyl]benzamide
SMILESCc1c(-c2ccccc2C(N)=O)cccc1C(F)(F)F
InChIInChI=1S/C15H12F3NO/c1-9-10(7-4-8-13(9)15(16,17)18)11-5-2-3-6-12(11)14(19)20/h2-8H,1H3,(H2,19,20)
InChIKeyNELQUFXCBPMBPI-UHFFFAOYSA-N
XLogP3.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Phthalamide
CID 6956
2-Trifluoromethylbenzamide
CID 67759
2-Methylbenzamide
CID 10704
m-Toluamide
CID 69253
1-Naphthohydroxamic Acid
CID 23382
1-Naphthalenecarboxamide
CID 75244
2-Naphthalenecarboxamide
CID 75245
2,3-Difluoro-6-(trifluoromethyl)benzamide
CID 22010119
p-(tert-Butyl)benzamide
CID 92014
4-Benzylbenzamide
CID 21920336
4-(Trifluoromethyl)benzamide
CID 74684
N-methyl-[1,1'-biphenyl]-2-carboxamide
CID 976170

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-[2-methyl-3-(trifluoromethyl)phenyl]benzamide (CID 69461429) is 2-[2-methyl-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-[2-methyl-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-[2-methyl-3-(trifluoromethyl)phenyl]benzamide is Cc1c(-c2ccccc2C(N)=O)cccc1C(F)(F)F.
What is the InChIKey of 2-[2-methyl-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is NELQUFXCBPMBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c1-9-10(7-4-8-13(9)15(16,17)18)11-5-2-3-6-12(11)14(19)20/h2-8H,1H3,(H2,19,20).
What are the key properties of 2-[2-methyl-3-(trifluoromethyl)phenyl]benzamide?
2-[2-methyl-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 279.26 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 69461429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).