N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide

C14H11F3N2O — CID 1244160

IUPACN-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NCc1cccnc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)12-5-1-4-11(7-12)13(20)19-9-10-3-2-6-18-8-10/h1-8H,9H2,(H,19,20)
InChIKeyJYSGFMAMKCAGON-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.03
Rot. Bonds3

About N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide

N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide (PubChem CID 1244160) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide
PubChem CID1244160
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC NameN-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NCc1cccnc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)12-5-1-4-11(7-12)13(20)19-9-10-3-2-6-18-8-10/h1-8H,9H2,(H,19,20)
InChIKeyJYSGFMAMKCAGON-UHFFFAOYSA-N
XLogP3.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide (CID 1244160) is N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide is O=C(NCc1cccnc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is JYSGFMAMKCAGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-14(16,17)12-5-1-4-11(7-12)13(20)19-9-10-3-2-6-18-8-10/h1-8H,9H2,(H,19,20).
What are the key properties of N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide?
N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 280.25 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 1244160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).