N-(5-hydroxy-2-adamantyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

C23H23F3N2O3 — CID 46213371

IUPACN-(5-hydroxy-2-adamantyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(Oc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C23H23F3N2O3/c24-23(25,26)17-4-5-19(27-12-17)31-18-3-1-2-14(8-18)21(29)28-20-15-6-13-7-16(20)11-22(30,9-13)10-15/h1-5,8,12-13,15-16,20,30H,6-7,9-11H2,(H,28,29)
InChIKeyCOHYOTRJUZGMRU-UHFFFAOYSA-N
MW432.44 g/mol
LogP4.56
Rot. Bonds4

About N-(5-hydroxy-2-adamantyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

N-(5-hydroxy-2-adamantyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (PubChem CID 46213371) has the molecular formula C23H23F3N2O3 and a molecular weight of 432.44 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
PubChem CID46213371
Molecular FormulaC23H23F3N2O3
Molecular Weight432.44 g/mol
Exact Mass432.17
IUPAC NameN-(5-hydroxy-2-adamantyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(Oc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C23H23F3N2O3/c24-23(25,26)17-4-5-19(27-12-17)31-18-3-1-2-14(8-18)21(29)28-20-15-6-13-7-16(20)11-22(30,9-13)10-15/h1-5,8,12-13,15-16,20,30H,6-7,9-11H2,(H,28,29)
InChIKeyCOHYOTRJUZGMRU-UHFFFAOYSA-N
XLogP4.56
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-adamantyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (CID 46213371) is N-(5-hydroxy-2-adamantyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(Oc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The InChIKey is COHYOTRJUZGMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O3/c24-23(25,26)17-4-5-19(27-12-17)31-18-3-1-2-14(8-18)21(29)28-20-15-6-13-7-16(20)11-22(30,9-13)10-15/h1-5,8,12-13,15-16,20,30H,6-7,9-11H2,(H,28,29).
What are the key properties of N-(5-hydroxy-2-adamantyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
N-(5-hydroxy-2-adamantyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide has a molecular weight of 432.44 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-adamantyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 46213371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).