N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide

C16H14F3NO — CID 4801581

IUPACN-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H14F3NO/c1-10-3-4-11(2)14(9-10)20-15(21)12-5-7-13(8-6-12)16(17,18)19/h3-9H,1-2H3,(H,20,21)
InChIKeyYYHVVPOIXSMVIW-UHFFFAOYSA-N
MW293.29 g/mol
LogP4.57
Rot. Bonds2

About N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide

N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide (PubChem CID 4801581) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide
PubChem CID4801581
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC NameN-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H14F3NO/c1-10-3-4-11(2)14(9-10)20-15(21)12-5-7-13(8-6-12)16(17,18)19/h3-9H,1-2H3,(H,20,21)
InChIKeyYYHVVPOIXSMVIW-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

N-(2,5-dimethylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2094760
N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide
CID 24709372
4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66480354
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 47079713
1-N'-(2,5-dimethylphenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108981339
N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 2102456
N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide
CID 17257324
3-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66477560
N-(5-bromo-2-methylphenyl)-4-methylbenzamide
CID 43806352
N-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 58919756
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 7777818

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide (CID 4801581) is N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide is Cc1ccc(C)c(NC(=O)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide?
The InChIKey is YYHVVPOIXSMVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c1-10-3-4-11(2)14(9-10)20-15(21)12-5-7-13(8-6-12)16(17,18)19/h3-9H,1-2H3,(H,20,21).
What are the key properties of N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide?
N-(2,5-dimethylphenyl)-4-(trifluoromethyl)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 N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 4801581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).