N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide

C16H15F3N2O — CID 51272046

IUPACN-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccncc1
InChIInChI=1S/C16H15F3N2O/c1-11(13-6-8-20-9-7-13)21-15(22)10-12-2-4-14(5-3-12)16(17,18)19/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyYNNJUIPJORMFHG-UHFFFAOYSA-N
MW308.30 g/mol
LogP3.52
Rot. Bonds4

About N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide

N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 51272046) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID51272046
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC NameN-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccncc1
InChIInChI=1S/C16H15F3N2O/c1-11(13-6-8-20-9-7-13)21-15(22)10-12-2-4-14(5-3-12)16(17,18)19/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyYNNJUIPJORMFHG-UHFFFAOYSA-N
XLogP3.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17168099
2-[4-(aminomethyl)phenyl]-N-(1-pyridin-4-ylethyl)acetamide
CID 63590307
2-(4-acetamidophenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 39964120
N-(1-pyridin-4-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 17433764
2-(4-carbamothioylphenyl)-N-(1-pyridin-4-ylethyl)acetamide
CID 63590706
2-(3,4-dimethylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 51410979
2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 43711973
3-bromo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 113385199
N-(1-bromopropan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114310617
3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 21016485
2,2,2-trifluoroethyl N-[(1R)-1-pyridin-4-ylethyl]carbamate
CID 81410693
methyl 2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 60700981

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 51272046) is N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide is CC(NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccncc1.
What is the InChIKey of N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YNNJUIPJORMFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c1-11(13-6-8-20-9-7-13)21-15(22)10-12-2-4-14(5-3-12)16(17,18)19/h2-9,11H,10H2,1H3,(H,21,22).
What are the key properties of N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 308.30 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 51272046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).