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

C15H13F3N2O — CID 34360937

IUPACN-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NCc1cccnc1
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)13-5-3-11(4-6-13)8-14(21)20-10-12-2-1-7-19-9-12/h1-7,9H,8,10H2,(H,20,21)
InChIKeyQSSZLDCOKCFSHV-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.96
Rot. Bonds4

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

N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 34360937) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID34360937
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC NameN-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NCc1cccnc1
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)13-5-3-11(4-6-13)8-14(21)20-10-12-2-1-7-19-9-12/h1-7,9H,8,10H2,(H,20,21)
InChIKeyQSSZLDCOKCFSHV-UHFFFAOYSA-N
XLogP2.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(pyridin-3-ylmethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 36873268
1-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 4565553
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)urea
CID 108865842
N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109213049
N-(pyridin-3-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109157983
N-(pyridin-3-ylmethyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110496431
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 27554699
N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 86912439
5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099829
N-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methyl]-2,5-bis(trifluoromethyl)benzamide
CID 148600799

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 34360937) is N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)NCc1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QSSZLDCOKCFSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c16-15(17,18)13-5-3-11(4-6-13)8-14(21)20-10-12-2-1-7-19-9-12/h1-7,9H,8,10H2,(H,20,21).
What are the key properties of N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 294.28 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 34360937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).