2-methyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]benzamide

C21H17F3N2O — CID 166100350

IUPAC2-methyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]benzamide
SMILESCc1cc(-c2cc(Cc3cccc(C(F)(F)F)c3)ccn2)ccc1C(N)=O
InChIInChI=1S/C21H17F3N2O/c1-13-9-16(5-6-18(13)20(25)27)19-12-15(7-8-26-19)10-14-3-2-4-17(11-14)21(22,23)24/h2-9,11-12H,10H2,1H3,(H2,25,27)
InChIKeyYNXIYMOBKYDEDR-UHFFFAOYSA-N
MW370.37 g/mol
LogP4.77
Rot. Bonds4

About 2-methyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]benzamide

2-methyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]benzamide (PubChem CID 166100350) has the molecular formula C21H17F3N2O and a molecular weight of 370.37 g/mol. Its IUPAC name is 2-methyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-methyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]benzamide
PubChem CID166100350
Molecular FormulaC21H17F3N2O
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name2-methyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]benzamide
SMILESCc1cc(-c2cc(Cc3cccc(C(F)(F)F)c3)ccn2)ccc1C(N)=O
InChIInChI=1S/C21H17F3N2O/c1-13-9-16(5-6-18(13)20(25)27)19-12-15(7-8-26-19)10-14-3-2-4-17(11-14)21(22,23)24/h2-9,11-12H,10H2,1H3,(H2,25,27)
InChIKeyYNXIYMOBKYDEDR-UHFFFAOYSA-N
XLogP4.77
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-methyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]benzoate
CID 174214827
4-[4-[(3,4-difluoro-5-methoxyphenyl)methyl]-2-pyridinyl]-2-methylbenzamide
CID 166100431
[2-(4-carbamoyl-3-methylphenyl)-4-pyridinyl]methyl acetate
CID 166793684
4-[4-[[3-(difluoromethyl)phenoxy]methyl]-2-pyridinyl]-2-methylbenzamide
CID 166793682
4-[4-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]-2-methylbenzamide
CID 166793626
2-methyl-4-[4-[(4-propanoylphenoxy)methyl]-2-pyridinyl]benzamide
CID 166793604
2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67079639
[2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine;dihydrochloride
CID 171365585
ethyl 3-oxo-2-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-1H-pyrazole-4-carboxylate
CID 156735657
4-[4-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]-N,2-dimethylbenzamide
CID 170054886
2-methyl-4-[4-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-2-pyridinyl]benzamide
CID 171537835
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]benzamide?
The IUPAC name of 2-methyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]benzamide (CID 166100350) is 2-methyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]benzamide.
What is the SMILES notation for 2-methyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]benzamide?
The canonical SMILES for 2-methyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]benzamide is Cc1cc(-c2cc(Cc3cccc(C(F)(F)F)c3)ccn2)ccc1C(N)=O.
What is the InChIKey of 2-methyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]benzamide?
The InChIKey is YNXIYMOBKYDEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O/c1-13-9-16(5-6-18(13)20(25)27)19-12-15(7-8-26-19)10-14-3-2-4-17(11-14)21(22,23)24/h2-9,11-12H,10H2,1H3,(H2,25,27).
What are the key properties of 2-methyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]benzamide?
2-methyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]benzamide has a molecular weight of 370.37 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 166100350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).