2,6-dimethyl-4-(6-methyl-3-pyridinyl)-N-[2-(trifluoromethyl)phenyl]benzamide

C22H19F3N2O — CID 167141010

IUPAC2,6-dimethyl-4-(6-methyl-3-pyridinyl)-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(-c2cc(C)c(C(=O)Nc3ccccc3C(F)(F)F)c(C)c2)cn1
InChIInChI=1S/C22H19F3N2O/c1-13-10-17(16-9-8-15(3)26-12-16)11-14(2)20(13)21(28)27-19-7-5-4-6-18(19)22(23,24)25/h4-12H,1-3H3,(H,27,28)
InChIKeyZICGTJXGZPEIOS-UHFFFAOYSA-N
MW384.40 g/mol
LogP5.94
Rot. Bonds3

About 2,6-dimethyl-4-(6-methyl-3-pyridinyl)-N-[2-(trifluoromethyl)phenyl]benzamide

2,6-dimethyl-4-(6-methyl-3-pyridinyl)-N-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 167141010) has the molecular formula C22H19F3N2O and a molecular weight of 384.40 g/mol. Its IUPAC name is 2,6-dimethyl-4-(6-methyl-3-pyridinyl)-N-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2,6-dimethyl-4-(6-methyl-3-pyridinyl)-N-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID167141010
Molecular FormulaC22H19F3N2O
Molecular Weight384.40 g/mol
Exact Mass384.14
IUPAC Name2,6-dimethyl-4-(6-methyl-3-pyridinyl)-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(-c2cc(C)c(C(=O)Nc3ccccc3C(F)(F)F)c(C)c2)cn1
InChIInChI=1S/C22H19F3N2O/c1-13-10-17(16-9-8-15(3)26-12-16)11-14(2)20(13)21(28)27-19-7-5-4-6-18(19)22(23,24)25/h4-12H,1-3H3,(H,27,28)
InChIKeyZICGTJXGZPEIOS-UHFFFAOYSA-N
XLogP5.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.40
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4,6-trimethyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860792
6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 110860737
5-methyl-3-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 1223086
4-hydroxy-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 107676526
4-[2-(2-fluoro-4-methylphenyl)ethoxy]-2,6-dimethyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 167140918
4-N-(2-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091026
2-[(2-methylphenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109255765
4-methyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 53080350
2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 110860798
2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 8966624
1-methyl-5-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 110299441
4-(2-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109219031

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(6-methyl-3-pyridinyl)-N-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2,6-dimethyl-4-(6-methyl-3-pyridinyl)-N-[2-(trifluoromethyl)phenyl]benzamide (CID 167141010) is 2,6-dimethyl-4-(6-methyl-3-pyridinyl)-N-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2,6-dimethyl-4-(6-methyl-3-pyridinyl)-N-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2,6-dimethyl-4-(6-methyl-3-pyridinyl)-N-[2-(trifluoromethyl)phenyl]benzamide is Cc1ccc(-c2cc(C)c(C(=O)Nc3ccccc3C(F)(F)F)c(C)c2)cn1.
What is the InChIKey of 2,6-dimethyl-4-(6-methyl-3-pyridinyl)-N-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is ZICGTJXGZPEIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O/c1-13-10-17(16-9-8-15(3)26-12-16)11-14(2)20(13)21(28)27-19-7-5-4-6-18(19)22(23,24)25/h4-12H,1-3H3,(H,27,28).
What are the key properties of 2,6-dimethyl-4-(6-methyl-3-pyridinyl)-N-[2-(trifluoromethyl)phenyl]benzamide?
2,6-dimethyl-4-(6-methyl-3-pyridinyl)-N-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 384.40 g/mol, XLogP of 5.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(6-methyl-3-pyridinyl)-N-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 167141010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).