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

C15H14F3N3O — CID 108999285

IUPACN-(pyridin-2-ylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1ccc(C(F)(F)F)cc1)NCc1ccccn1
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)11-4-6-12(7-5-11)20-10-14(22)21-9-13-3-1-2-8-19-13/h1-8,20H,9-10H2,(H,21,22)
InChIKeyWBTSDLVGXSTMAL-UHFFFAOYSA-N
MW309.29 g/mol
LogP2.83
Rot. Bonds5

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

N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide (PubChem CID 108999285) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide
PubChem CID108999285
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC NameN-(pyridin-2-ylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1ccc(C(F)(F)F)cc1)NCc1ccccn1
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)11-4-6-12(7-5-11)20-10-14(22)21-9-13-3-1-2-8-19-13/h1-8,20H,9-10H2,(H,21,22)
InChIKeyWBTSDLVGXSTMAL-UHFFFAOYSA-N
XLogP2.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999289
2-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999339
2-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999304
2-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999310
2-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999257
2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(pyridin-2-ylmethyl)acetamide
CID 50944930
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
CID 9414555
1-(pyridin-2-ylmethyl)-3-(trifluoromethyl)urea
CID 108865913
4-(pyridin-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109212905
2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide
CID 2164897
2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide
CID 4159002
2-(2-ethylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999248

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide (CID 108999285) is N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide is O=C(CNc1ccc(C(F)(F)F)cc1)NCc1ccccn1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide?
The InChIKey is WBTSDLVGXSTMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O/c16-15(17,18)11-4-6-12(7-5-11)20-10-14(22)21-9-13-3-1-2-8-19-13/h1-8,20H,9-10H2,(H,21,22).
What are the key properties of N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide?
N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide has a molecular weight of 309.29 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 108999285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).