2-(4-chlorophenoxy)-2-methyl-1-(3-pyridin-2-yloxyazetidin-1-yl)propan-1-one

C18H19ClN2O3 — CID 122247157

IUPAC2-(4-chlorophenoxy)-2-methyl-1-(3-pyridin-2-yloxyazetidin-1-yl)propan-1-one
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC(Oc2ccccn2)C1
InChIInChI=1S/C18H19ClN2O3/c1-18(2,24-14-8-6-13(19)7-9-14)17(22)21-11-15(12-21)23-16-5-3-4-10-20-16/h3-10,15H,11-12H2,1-2H3
InChIKeyDGAMDGOGZQVRTK-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.18
Rot. Bonds5

About 2-(4-chlorophenoxy)-2-methyl-1-(3-pyridin-2-yloxyazetidin-1-yl)propan-1-one

2-(4-chlorophenoxy)-2-methyl-1-(3-pyridin-2-yloxyazetidin-1-yl)propan-1-one (PubChem CID 122247157) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-1-(3-pyridin-2-yloxyazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-1-(3-pyridin-2-yloxyazetidin-1-yl)propan-1-one
PubChem CID122247157
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name2-(4-chlorophenoxy)-2-methyl-1-(3-pyridin-2-yloxyazetidin-1-yl)propan-1-one
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC(Oc2ccccn2)C1
InChIInChI=1S/C18H19ClN2O3/c1-18(2,24-14-8-6-13(19)7-9-14)17(22)21-11-15(12-21)23-16-5-3-4-10-20-16/h3-10,15H,11-12H2,1-2H3
InChIKeyDGAMDGOGZQVRTK-UHFFFAOYSA-N
XLogP3.18
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-1-(3-pyridin-2-yloxyazetidin-1-yl)propan-1-one?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-1-(3-pyridin-2-yloxyazetidin-1-yl)propan-1-one (CID 122247157) is 2-(4-chlorophenoxy)-2-methyl-1-(3-pyridin-2-yloxyazetidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-1-(3-pyridin-2-yloxyazetidin-1-yl)propan-1-one?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-1-(3-pyridin-2-yloxyazetidin-1-yl)propan-1-one is CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC(Oc2ccccn2)C1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-1-(3-pyridin-2-yloxyazetidin-1-yl)propan-1-one?
The InChIKey is DGAMDGOGZQVRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-18(2,24-14-8-6-13(19)7-9-14)17(22)21-11-15(12-21)23-16-5-3-4-10-20-16/h3-10,15H,11-12H2,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-1-(3-pyridin-2-yloxyazetidin-1-yl)propan-1-one?
2-(4-chlorophenoxy)-2-methyl-1-(3-pyridin-2-yloxyazetidin-1-yl)propan-1-one has a molecular weight of 346.81 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-1-(3-pyridin-2-yloxyazetidin-1-yl)propan-1-one is sourced from PubChem (CID 122247157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).