N-(oxan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

C19H19F3N2O2 — CID 118760932

IUPACN-(oxan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(NCC1CCCCO1)c1ccc(-c2ncccc2C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)16-5-3-10-23-17(16)13-6-8-14(9-7-13)18(25)24-12-15-4-1-2-11-26-15/h3,5-10,15H,1-2,4,11-12H2,(H,24,25)
InChIKeyARFQPRXHSAIINZ-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.07
Rot. Bonds4

About N-(oxan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

N-(oxan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 118760932) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID118760932
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC NameN-(oxan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(NCC1CCCCO1)c1ccc(-c2ncccc2C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)16-5-3-10-23-17(16)13-6-8-14(9-7-13)18(25)24-12-15-4-1-2-11-26-15/h3,5-10,15H,1-2,4,11-12H2,(H,24,25)
InChIKeyARFQPRXHSAIINZ-UHFFFAOYSA-N
XLogP4.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109045666
N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 43103022
N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 42953477
2-fluoro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 55014520
N-(1,4-dioxan-2-ylmethyl)-3-(trifluoromethyl)pyridine-2-carboxamide
CID 146125094
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 40973251
4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119300314
4-(3-fluoro-4-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126425082
trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide
CID 99738286
N-(oxolan-2-ylmethyl)-6-pyridin-2-ylpyridine-3-carboxamide
CID 110681810
N-(oxolan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829235

Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-(oxan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (CID 118760932) is N-(oxan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-(oxan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-(oxan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is O=C(NCC1CCCCO1)c1ccc(-c2ncccc2C(F)(F)F)cc1.
What is the InChIKey of N-(oxan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is ARFQPRXHSAIINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c20-19(21,22)16-5-3-10-23-17(16)13-6-8-14(9-7-13)18(25)24-12-15-4-1-2-11-26-15/h3,5-10,15H,1-2,4,11-12H2,(H,24,25).
What are the key properties of N-(oxan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
N-(oxan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 364.37 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 118760932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).