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

C15H13F3N2O — CID 70790724

IUPAC3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1C
InChIInChI=1S/C15H13F3N2O/c1-9-3-4-11(7-10(9)2)14(21)20-13-8-12(5-6-19-13)15(16,17)18/h3-8H,1-2H3,(H,19,20,21)
InChIKeyOIOPJKKIDFJVCM-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.97
Rot. Bonds2

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

3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 70790724) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID70790724
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1C
InChIInChI=1S/C15H13F3N2O/c1-9-3-4-11(7-10(9)2)14(21)20-13-8-12(5-6-19-13)15(16,17)18/h3-8H,1-2H3,(H,19,20,21)
InChIKeyOIOPJKKIDFJVCM-UHFFFAOYSA-N
XLogP3.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118623339
4-bromo-3-(1,1-difluoroethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 86727855
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 141350962
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
4-methyl-3-pyrazolo[1,5-a]pyrimidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 67891342
3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 90303181
3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 71226188
4-methyl-3-[2-[2-(methylcarbamoylamino)-1,3-thiazol-5-yl]ethynyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 135125639
[5-[2-[2-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]ethynyl]-1,3-thiazol-2-yl] carbamate
CID 151029746
N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 115626766
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3,4-dimethylbenzamide
CID 102821474
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 99819963

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 70790724) is 3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is OIOPJKKIDFJVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-9-3-4-11(7-10(9)2)14(21)20-13-8-12(5-6-19-13)15(16,17)18/h3-8H,1-2H3,(H,19,20,21).
What are the key properties of 3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 294.28 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 70790724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).