2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-methylpropan-1-one

C18H18Cl2N2O3 — CID 122247952

IUPAC2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC(Oc2ncccc2Cl)C1
InChIInChI=1S/C18H18Cl2N2O3/c1-18(2,25-13-7-5-12(19)6-8-13)17(23)22-10-14(11-22)24-16-15(20)4-3-9-21-16/h3-9,14H,10-11H2,1-2H3
InChIKeyYIDQUVPCAZIQMR-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.84
Rot. Bonds5

About 2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-methylpropan-1-one

2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-methylpropan-1-one (PubChem CID 122247952) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-methylpropan-1-one
PubChem CID122247952
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC Name2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC(Oc2ncccc2Cl)C1
InChIInChI=1S/C18H18Cl2N2O3/c1-18(2,25-13-7-5-12(19)6-8-13)17(23)22-10-14(11-22)24-16-15(20)4-3-9-21-16/h3-9,14H,10-11H2,1-2H3
InChIKeyYIDQUVPCAZIQMR-UHFFFAOYSA-N
XLogP3.84
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

2-(4-chlorophenoxy)-2-methyl-1-(3-pyridin-2-yloxyazetidin-1-yl)propan-1-one
CID 122247157
2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122247949
N-(4-chlorophenyl)-3-[(3-chloro-2-pyridinyl)oxy]azetidine-1-carboxamide
CID 122248083
1-(4-chlorophenyl)-4-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]butane-1,4-dione
CID 122247841
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-cyclohexylmethanone
CID 122247872
3-[(3-chloro-2-pyridinyl)oxy]-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide
CID 122248095
1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]pent-4-en-1-one
CID 122247847
(2-bromo-5-methoxyphenyl)-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 122247840
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-phenylphenyl)methanone
CID 122247943
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 122248008
4-[1-[2-(4-chlorophenoxy)-2-methylpropanoyl]azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155868
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidine-3-carboxamide
CID 56813709

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-methylpropan-1-one (CID 122247952) is 2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-methylpropan-1-one is CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC(Oc2ncccc2Cl)C1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-methylpropan-1-one?
The InChIKey is YIDQUVPCAZIQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-18(2,25-13-7-5-12(19)6-8-13)17(23)22-10-14(11-22)24-16-15(20)4-3-9-21-16/h3-9,14H,10-11H2,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-methylpropan-1-one?
2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-methylpropan-1-one has a molecular weight of 381.26 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 122247952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).