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

C16H15F3N2O — CID 86912439

IUPACN-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(Cc1cccnc1)C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O/c1-21(11-13-3-2-8-20-10-13)15(22)9-12-4-6-14(7-5-12)16(17,18)19/h2-8,10H,9,11H2,1H3
InChIKeyIWKLAUZCMKSASH-UHFFFAOYSA-N
MW308.30 g/mol
LogP3.30
Rot. Bonds4

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

N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 86912439) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID86912439
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC NameN-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(Cc1cccnc1)C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O/c1-21(11-13-3-2-8-20-10-13)15(22)9-12-4-6-14(7-5-12)16(17,18)19/h2-8,10H,9,11H2,1H3
InChIKeyIWKLAUZCMKSASH-UHFFFAOYSA-N
XLogP3.30
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
2-(3-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724716
2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55330788
N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 86980548
N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 78770926
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34360937
2-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 78771326
N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51966521
N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide
CID 62690187
N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 171910025
N-methyl-2-(methylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 43563676

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 86912439) is N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide is CN(Cc1cccnc1)C(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IWKLAUZCMKSASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c1-21(11-13-3-2-8-20-10-13)15(22)9-12-4-6-14(7-5-12)16(17,18)19/h2-8,10H,9,11H2,1H3.
What are the key properties of N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 308.30 g/mol, XLogP of 3.30, 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]acetamide is sourced from PubChem (CID 86912439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).