3-[(5-chloro-2-pyridinyl)oxy]-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)benzamide

C23H25ClN2O3 — CID 70890788

IUPAC3-[(5-chloro-2-pyridinyl)oxy]-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)benzamide
SMILESO=C(NC1CCC2CC3CC(O)(C2)CC31)c1cccc(Oc2ccc(Cl)cn2)c1
InChIInChI=1S/C23H25ClN2O3/c24-17-5-7-21(25-13-17)29-18-3-1-2-15(9-18)22(27)26-20-6-4-14-8-16-11-23(28,10-14)12-19(16)20/h1-3,5,7,9,13-14,16,19-20,28H,4,6,8,10-12H2,(H,26,27)
InChIKeyDIDWCXVTNTZZDJ-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.59
Rot. Bonds4

About 3-[(5-chloro-2-pyridinyl)oxy]-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)benzamide

3-[(5-chloro-2-pyridinyl)oxy]-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)benzamide (PubChem CID 70890788) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)oxy]-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)benzamide.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)oxy]-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)benzamide
PubChem CID70890788
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC Name3-[(5-chloro-2-pyridinyl)oxy]-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)benzamide
SMILESO=C(NC1CCC2CC3CC(O)(C2)CC31)c1cccc(Oc2ccc(Cl)cn2)c1
InChIInChI=1S/C23H25ClN2O3/c24-17-5-7-21(25-13-17)29-18-3-1-2-15(9-18)22(27)26-20-6-4-14-8-16-11-23(28,10-14)12-19(16)20/h1-3,5,7,9,13-14,16,19-20,28H,4,6,8,10-12H2,(H,26,27)
InChIKeyDIDWCXVTNTZZDJ-UHFFFAOYSA-N
XLogP4.59
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)oxy]-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)benzamide?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)oxy]-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)benzamide (CID 70890788) is 3-[(5-chloro-2-pyridinyl)oxy]-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)benzamide.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)oxy]-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)benzamide?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)oxy]-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)benzamide is O=C(NC1CCC2CC3CC(O)(C2)CC31)c1cccc(Oc2ccc(Cl)cn2)c1.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)oxy]-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)benzamide?
The InChIKey is DIDWCXVTNTZZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c24-17-5-7-21(25-13-17)29-18-3-1-2-15(9-18)22(27)26-20-6-4-14-8-16-11-23(28,10-14)12-19(16)20/h1-3,5,7,9,13-14,16,19-20,28H,4,6,8,10-12H2,(H,26,27).
What are the key properties of 3-[(5-chloro-2-pyridinyl)oxy]-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)benzamide?
3-[(5-chloro-2-pyridinyl)oxy]-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)benzamide has a molecular weight of 412.92 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)oxy]-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)benzamide is sourced from PubChem (CID 70890788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).