1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-phenylphenyl)ethanone

C22H19ClN2O2 — CID 122248013

IUPAC1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-phenylphenyl)ethanone
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)N1CC(Oc2ncccc2Cl)C1
InChIInChI=1S/C22H19ClN2O2/c23-20-7-4-12-24-22(20)27-19-14-25(15-19)21(26)13-16-8-10-18(11-9-16)17-5-2-1-3-6-17/h1-12,19H,13-15H2
InChIKeySWSFMPUWBBMEFF-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.23
Rot. Bonds5

About 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-phenylphenyl)ethanone

1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-phenylphenyl)ethanone (PubChem CID 122248013) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-phenylphenyl)ethanone
PubChem CID122248013
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-phenylphenyl)ethanone
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)N1CC(Oc2ncccc2Cl)C1
InChIInChI=1S/C22H19ClN2O2/c23-20-7-4-12-24-22(20)27-19-14-25(15-19)21(26)13-16-8-10-18(11-9-16)17-5-2-1-3-6-17/h1-12,19H,13-15H2
InChIKeySWSFMPUWBBMEFF-UHFFFAOYSA-N
XLogP4.23
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-phenylphenyl)methanone
CID 122247943
1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]pent-4-en-1-one
CID 122247847
1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-pyrazol-1-ylethanone
CID 122248067
1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 71798870
2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122247949
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]-N-[(4-fluorophenyl)methyl]azetidine-1-carboxamide
CID 122248114
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-cyclohexylmethanone
CID 122247872
2-(4-phenylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone
CID 121157257
2-(4-fluorophenyl)-1-(3-pyridin-2-yloxyazetidin-1-yl)ethanone
CID 122247174
2-(4-phenylphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638326
N-(4-chlorophenyl)-3-[(3-chloro-2-pyridinyl)oxy]azetidine-1-carboxamide
CID 122248083

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-phenylphenyl)ethanone?
The IUPAC name of 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-phenylphenyl)ethanone (CID 122248013) is 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-phenylphenyl)ethanone.
What is the SMILES notation for 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-phenylphenyl)ethanone?
The canonical SMILES for 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-phenylphenyl)ethanone is O=C(Cc1ccc(-c2ccccc2)cc1)N1CC(Oc2ncccc2Cl)C1.
What is the InChIKey of 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-phenylphenyl)ethanone?
The InChIKey is SWSFMPUWBBMEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c23-20-7-4-12-24-22(20)27-19-14-25(15-19)21(26)13-16-8-10-18(11-9-16)17-5-2-1-3-6-17/h1-12,19H,13-15H2.
What are the key properties of 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-phenylphenyl)ethanone?
1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-phenylphenyl)ethanone has a molecular weight of 378.86 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-phenylphenyl)ethanone is sourced from PubChem (CID 122248013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).