2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide

C20H19F3N2O3 — CID 90034823

IUPAC2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1O[C@@H]1CC2CCC1C2
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)13-3-4-15(19(27)25-14-5-6-24-18(26)10-14)17(9-13)28-16-8-11-1-2-12(16)7-11/h3-6,9-12,16H,1-2,7-8H2,(H2,24,25,26,27)/t11?,12?,16-/m1/s1
InChIKeyREFSPUPAKCCVAD-ZEPSKSRBSA-N
MW392.38 g/mol
LogP4.21
Rot. Bonds4

About 2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide

2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide (PubChem CID 90034823) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide
PubChem CID90034823
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1O[C@@H]1CC2CCC1C2
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)13-3-4-15(19(27)25-14-5-6-24-18(26)10-14)17(9-13)28-16-8-11-1-2-12(16)7-11/h3-6,9-12,16H,1-2,7-8H2,(H2,24,25,26,27)/t11?,12?,16-/m1/s1
InChIKeyREFSPUPAKCCVAD-ZEPSKSRBSA-N
XLogP4.21
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide (CID 90034823) is 2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide is O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1O[C@@H]1CC2CCC1C2.
What is the InChIKey of 2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is REFSPUPAKCCVAD-ZEPSKSRBSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c21-20(22,23)13-3-4-15(19(27)25-14-5-6-24-18(26)10-14)17(9-13)28-16-8-11-1-2-12(16)7-11/h3-6,9-12,16H,1-2,7-8H2,(H2,24,25,26,27)/t11?,12?,16-/m1/s1.
What are the key properties of 2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide?
2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 392.38 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 90034823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).