N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide

C16H14F3NO — CID 2102456

IUPACN-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1C
InChIInChI=1S/C16H14F3NO/c1-10-4-3-5-14(11(10)2)20-15(21)12-6-8-13(9-7-12)16(17,18)19/h3-9H,1-2H3,(H,20,21)
InChIKeyCYKVMYJKYHNHLU-UHFFFAOYSA-N
MW293.29 g/mol
LogP4.57
Rot. Bonds2

About N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide

N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide (PubChem CID 2102456) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide
PubChem CID2102456
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC NameN-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1C
InChIInChI=1S/C16H14F3NO/c1-10-4-3-5-14(11(10)2)20-15(21)12-6-8-13(9-7-12)16(17,18)19/h3-9H,1-2H3,(H,20,21)
InChIKeyCYKVMYJKYHNHLU-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-(2,3-dimethylphenyl)-3-(trifluoromethyl)benzamide
CID 850563
N-(2,3-dimethylphenyl)-4-fluorobenzamide
CID 795282
N-[3-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide
CID 87595402
N-(2-amino-6-methylphenyl)-4-(trifluoromethyl)benzamide
CID 43152274
N-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide
CID 78895527
N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 4801581
N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide
CID 2213666
N-(2,3-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 977709
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide
CID 108933525
3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 2062628
1-N-butyl-4-N-(2,3-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109043741

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide (CID 2102456) is N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide is Cc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide?
The InChIKey is CYKVMYJKYHNHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c1-10-4-3-5-14(11(10)2)20-15(21)12-6-8-13(9-7-12)16(17,18)19/h3-9H,1-2H3,(H,20,21).
What are the key properties of N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide?
N-(2,3-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-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 2102456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).