2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide

C16H14F3NO — CID 7777818

IUPAC2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H14F3NO/c1-10-3-4-11(2)14(9-10)15(21)20-13-7-5-12(6-8-13)16(17,18)19/h3-9H,1-2H3,(H,20,21)
InChIKeyXIGIAGDXVRJJHW-UHFFFAOYSA-N
MW293.29 g/mol
LogP4.57
Rot. Bonds2

About 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide

2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 7777818) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID7777818
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H14F3NO/c1-10-3-4-11(2)14(9-10)15(21)20-13-7-5-12(6-8-13)16(17,18)19/h3-9H,1-2H3,(H,20,21)
InChIKeyXIGIAGDXVRJJHW-UHFFFAOYSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119254214
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide
CID 43416665
4-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860907
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
N-(4-tert-butylphenyl)-2,4-dimethylbenzamide
CID 953234
N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide
CID 17444073
N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)benzamide
CID 122630182
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 110766224
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 4801581
N-[4-(ethylaminomethyl)phenyl]-2,5-dimethylbenzamide
CID 106910156

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide (CID 7777818) is 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is XIGIAGDXVRJJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c1-10-3-4-11(2)14(9-10)15(21)20-13-7-5-12(6-8-13)16(17,18)19/h3-9H,1-2H3,(H,20,21).
What are the key properties of 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide?
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 293.29 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 7777818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).