N-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]benzamide

C20H15F3N2O — CID 58484152

IUPACN-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]benzamide
SMILESO=C(NCc1cccc(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1
InChIInChI=1S/C20H15F3N2O/c21-20(22,23)16-9-4-8-15(12-16)18-11-5-10-17(25-18)13-24-19(26)14-6-2-1-3-7-14/h1-12H,13H2,(H,24,26)
InChIKeyLFWWGJCNOGTOCV-UHFFFAOYSA-N
MW356.35 g/mol
LogP4.70
Rot. Bonds4

About N-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]benzamide

N-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]benzamide (PubChem CID 58484152) has the molecular formula C20H15F3N2O and a molecular weight of 356.35 g/mol. Its IUPAC name is N-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]benzamide
PubChem CID58484152
Molecular FormulaC20H15F3N2O
Molecular Weight356.35 g/mol
Exact Mass356.11
IUPAC NameN-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]benzamide
SMILESO=C(NCc1cccc(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1
InChIInChI=1S/C20H15F3N2O/c21-20(22,23)16-9-4-8-15(12-16)18-11-5-10-17(25-18)13-24-19(26)14-6-2-1-3-7-14/h1-12H,13H2,(H,24,26)
InChIKeyLFWWGJCNOGTOCV-UHFFFAOYSA-N
XLogP4.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]benzamide?
The IUPAC name of N-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]benzamide (CID 58484152) is N-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]benzamide.
What is the SMILES notation for N-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]benzamide?
The canonical SMILES for N-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]benzamide is O=C(NCc1cccc(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1.
What is the InChIKey of N-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]benzamide?
The InChIKey is LFWWGJCNOGTOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O/c21-20(22,23)16-9-4-8-15(12-16)18-11-5-10-17(25-18)13-24-19(26)14-6-2-1-3-7-14/h1-12H,13H2,(H,24,26).
What are the key properties of N-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]benzamide?
N-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]benzamide has a molecular weight of 356.35 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]benzamide is sourced from PubChem (CID 58484152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).