2-[methyl(pyridin-4-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C21H18F3N3O — CID 22499162

IUPAC2-[methyl(pyridin-4-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCN(Cc1ccncc1)c1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H18F3N3O/c1-27(14-15-9-11-25-12-10-15)19-8-3-2-7-18(19)20(28)26-17-6-4-5-16(13-17)21(22,23)24/h2-13H,14H2,1H3,(H,26,28)
InChIKeyGWSXAFNZPWMQLH-UHFFFAOYSA-N
MW385.39 g/mol
LogP4.99
Rot. Bonds5

About 2-[methyl(pyridin-4-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

2-[methyl(pyridin-4-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 22499162) has the molecular formula C21H18F3N3O and a molecular weight of 385.39 g/mol. Its IUPAC name is 2-[methyl(pyridin-4-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[methyl(pyridin-4-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID22499162
Molecular FormulaC21H18F3N3O
Molecular Weight385.39 g/mol
Exact Mass385.14
IUPAC Name2-[methyl(pyridin-4-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCN(Cc1ccncc1)c1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H18F3N3O/c1-27(14-15-9-11-25-12-10-15)19-8-3-2-7-18(19)20(28)26-17-6-4-5-16(13-17)21(22,23)24/h2-13H,14H2,1H3,(H,26,28)
InChIKeyGWSXAFNZPWMQLH-UHFFFAOYSA-N
XLogP4.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2315099
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860867
2-benzyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2399730
1-N-(pyridin-4-ylmethyl)-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109055233
2-[2-(dimethylamino)-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27666765
3-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 105071549
pyridin-4-ylmethyl-[3-(trifluoromethyl)phenyl]carbamic acid
CID 66996492
6-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109121320
1-[4-(pyridin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 10248635
2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 56593348
4-[benzyl(ethyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109212643

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-4-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-[methyl(pyridin-4-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 22499162) is 2-[methyl(pyridin-4-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-[methyl(pyridin-4-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-[methyl(pyridin-4-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is CN(Cc1ccncc1)c1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[methyl(pyridin-4-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is GWSXAFNZPWMQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O/c1-27(14-15-9-11-25-12-10-15)19-8-3-2-7-18(19)20(28)26-17-6-4-5-16(13-17)21(22,23)24/h2-13H,14H2,1H3,(H,26,28).
What are the key properties of 2-[methyl(pyridin-4-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
2-[methyl(pyridin-4-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 385.39 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-4-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 22499162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).