N-(1-pyridin-2-ylpropyl)-2-(trifluoromethyl)benzamide

C16H15F3N2O — CID 91775087

IUPACN-(1-pyridin-2-ylpropyl)-2-(trifluoromethyl)benzamide
SMILESCCC(NC(=O)c1ccccc1C(F)(F)F)c1ccccn1
InChIInChI=1S/C16H15F3N2O/c1-2-13(14-9-5-6-10-20-14)21-15(22)11-7-3-4-8-12(11)16(17,18)19/h3-10,13H,2H2,1H3,(H,21,22)
InChIKeySLAJMUSGRHFBAU-UHFFFAOYSA-N
MW308.30 g/mol
LogP3.98
Rot. Bonds4

About N-(1-pyridin-2-ylpropyl)-2-(trifluoromethyl)benzamide

N-(1-pyridin-2-ylpropyl)-2-(trifluoromethyl)benzamide (PubChem CID 91775087) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is N-(1-pyridin-2-ylpropyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-pyridin-2-ylpropyl)-2-(trifluoromethyl)benzamide
PubChem CID91775087
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC NameN-(1-pyridin-2-ylpropyl)-2-(trifluoromethyl)benzamide
SMILESCCC(NC(=O)c1ccccc1C(F)(F)F)c1ccccn1
InChIInChI=1S/C16H15F3N2O/c1-2-13(14-9-5-6-10-20-14)21-15(22)11-7-3-4-8-12(11)16(17,18)19/h3-10,13H,2H2,1H3,(H,21,22)
InChIKeySLAJMUSGRHFBAU-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[phenyl(pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 44765282
2-phenyl-N-[(1R)-1-pyridin-2-ylpropyl]benzamide
CID 95191323
2-chloro-N-[2-(2-methylpyrrolidin-1-yl)-1-pyridin-2-ylethyl]-3-(trifluoromethyl)benzamide
CID 24756561
N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide
CID 92850424
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide
CID 40548744
N-(1-aminopentan-3-yl)-2-(trifluoromethyl)benzamide
CID 62651047
N-(1-methoxybutan-2-yl)-2-(trifluoromethyl)benzamide
CID 3613944
N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-2-(trifluoromethyl)benzamide
CID 173093170
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 103716638
N-(1-pyridin-2-ylbutyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69375151
N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 108542412
N'-pyridin-2-yl-2-(trifluoromethyl)benzohydrazide
CID 175943084

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylpropyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-pyridin-2-ylpropyl)-2-(trifluoromethyl)benzamide (CID 91775087) is N-(1-pyridin-2-ylpropyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-pyridin-2-ylpropyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-pyridin-2-ylpropyl)-2-(trifluoromethyl)benzamide is CCC(NC(=O)c1ccccc1C(F)(F)F)c1ccccn1.
What is the InChIKey of N-(1-pyridin-2-ylpropyl)-2-(trifluoromethyl)benzamide?
The InChIKey is SLAJMUSGRHFBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c1-2-13(14-9-5-6-10-20-14)21-15(22)11-7-3-4-8-12(11)16(17,18)19/h3-10,13H,2H2,1H3,(H,21,22).
What are the key properties of N-(1-pyridin-2-ylpropyl)-2-(trifluoromethyl)benzamide?
N-(1-pyridin-2-ylpropyl)-2-(trifluoromethyl)benzamide has a molecular weight of 308.30 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylpropyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 91775087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).