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

C21H17F3N2O — CID 78770926

IUPACN-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCN(Cc1cccnc1)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H17F3N2O/c1-26(14-15-5-4-12-25-13-15)20(27)19-7-3-2-6-18(19)16-8-10-17(11-9-16)21(22,23)24/h2-13H,14H2,1H3
InChIKeyAAYUIZFVHRZYPI-UHFFFAOYSA-N
MW370.37 g/mol
LogP5.04
Rot. Bonds4

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

N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 78770926) has the molecular formula C21H17F3N2O and a molecular weight of 370.37 g/mol. Its IUPAC name is N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID78770926
Molecular FormulaC21H17F3N2O
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC NameN-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCN(Cc1cccnc1)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H17F3N2O/c1-26(14-15-5-4-12-25-13-15)20(27)19-7-3-2-6-18(19)16-8-10-17(11-9-16)21(22,23)24/h2-13H,14H2,1H3
InChIKeyAAYUIZFVHRZYPI-UHFFFAOYSA-N
XLogP5.04
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.37
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 51120447
N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 86912439
2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 47097163
2-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62243618
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717
3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 113240917
2-[2-[4-[[pyridin-3-ylmethyl-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonylamino]methyl]phenyl]phenyl]benzoic acid
CID 139944047
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 135935168
N-methyl-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 78770888
N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide
CID 39948382
2-bromo-N,3-dimethyl-N-(pyridin-3-ylmethyl)benzamide
CID 103852811
2-[4-[[methyl(pyridine-4-carbonyl)amino]methyl]phenyl]benzoic acid
CID 110097432

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]benzamide (CID 78770926) is N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]benzamide is CN(Cc1cccnc1)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is AAYUIZFVHRZYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O/c1-26(14-15-5-4-12-25-13-15)20(27)19-7-3-2-6-18(19)16-8-10-17(11-9-16)21(22,23)24/h2-13H,14H2,1H3.
What are the key properties of N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]benzamide?
N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 370.37 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 78770926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).