2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]acetamide

C20H22ClN3O2 — CID 119864125

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1ccc(Oc2ccc(Cl)cn2)cc1
InChIInChI=1S/C20H22ClN3O2/c21-14-1-8-20(22-12-14)26-18-6-4-15(5-7-18)24-19(25)11-13-9-16-2-3-17(10-13)23-16/h1,4-8,12-13,16-17,23H,2-3,9-11H2,(H,24,25)
InChIKeyRLKMENLOCSBBJD-UHFFFAOYSA-N
MW371.87 g/mol
LogP4.39
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]acetamide (PubChem CID 119864125) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]acetamide
PubChem CID119864125
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1ccc(Oc2ccc(Cl)cn2)cc1
InChIInChI=1S/C20H22ClN3O2/c21-14-1-8-20(22-12-14)26-18-6-4-15(5-7-18)24-19(25)11-13-9-16-2-3-17(10-13)23-16/h1,4-8,12-13,16-17,23H,2-3,9-11H2,(H,24,25)
InChIKeyRLKMENLOCSBBJD-UHFFFAOYSA-N
XLogP4.39
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]acetamide with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 119867855
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-pyridin-4-yloxyphenyl)acetamide;dihydrochloride
CID 119867854
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-chloro-2-pyridinyl)acetamide
CID 79607334
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride
CID 119735821
N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111540621
N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-ethoxyacetamide
CID 71994232
3-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenoxy]propanamide;hydrochloride
CID 119733587
N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119864102
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide
CID 119793699
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672808
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-[2-(diethylamino)ethoxy]phenyl]acetamide
CID 119841224
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 119685267

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]acetamide (CID 119864125) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]acetamide is O=C(CC1CC2CCC(C1)N2)Nc1ccc(Oc2ccc(Cl)cn2)cc1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]acetamide?
The InChIKey is RLKMENLOCSBBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-14-1-8-20(22-12-14)26-18-6-4-15(5-7-18)24-19(25)11-13-9-16-2-3-17(10-13)23-16/h1,4-8,12-13,16-17,23H,2-3,9-11H2,(H,24,25).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]acetamide has a molecular weight of 371.87 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]acetamide is sourced from PubChem (CID 119864125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).