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

C22H19F3N2O2 — CID 55775742

IUPACN-methyl-3-(pyridin-3-ylmethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C22H19F3N2O2/c1-27(14-18-7-2-3-10-20(18)22(23,24)25)21(28)17-8-4-9-19(12-17)29-15-16-6-5-11-26-13-16/h2-13H,14-15H2,1H3
InChIKeyMNVMRBBMYLHVTK-UHFFFAOYSA-N
MW400.40 g/mol
LogP4.95
Rot. Bonds6

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

N-methyl-3-(pyridin-3-ylmethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 55775742) has the molecular formula C22H19F3N2O2 and a molecular weight of 400.40 g/mol. Its IUPAC name is N-methyl-3-(pyridin-3-ylmethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-(pyridin-3-ylmethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID55775742
Molecular FormulaC22H19F3N2O2
Molecular Weight400.40 g/mol
Exact Mass400.14
IUPAC NameN-methyl-3-(pyridin-3-ylmethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C22H19F3N2O2/c1-27(14-18-7-2-3-10-20(18)22(23,24)25)21(28)17-8-4-9-19(12-17)29-15-16-6-5-11-26-13-16/h2-13H,14-15H2,1H3
InChIKeyMNVMRBBMYLHVTK-UHFFFAOYSA-N
XLogP4.95
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-methyl-3-phenylmethoxybenzamide
CID 30253357
3-[2-(dimethylamino)-2-oxoethoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 87002102
3-(pyridin-3-ylmethoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55932884
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide
CID 134047362
3-(pyridin-3-ylmethoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 46490817
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide
CID 55772817
N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55772208
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
3,5-dimethoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 6734292
[3-(pyridin-3-ylmethoxy)phenyl] benzoate
CID 11460927
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(pyridin-3-ylmethoxy)benzamide
CID 55773708

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(pyridin-3-ylmethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of N-methyl-3-(pyridin-3-ylmethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (CID 55775742) is N-methyl-3-(pyridin-3-ylmethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-methyl-3-(pyridin-3-ylmethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for N-methyl-3-(pyridin-3-ylmethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is CN(Cc1ccccc1C(F)(F)F)C(=O)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of N-methyl-3-(pyridin-3-ylmethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is MNVMRBBMYLHVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O2/c1-27(14-18-7-2-3-10-20(18)22(23,24)25)21(28)17-8-4-9-19(12-17)29-15-16-6-5-11-26-13-16/h2-13H,14-15H2,1H3.
What are the key properties of N-methyl-3-(pyridin-3-ylmethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
N-methyl-3-(pyridin-3-ylmethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 400.40 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(pyridin-3-ylmethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55775742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).