(2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone

C13H15Cl2NO3 — CID 71979962

IUPAC(2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone
SMILESCOCCOC1CN(C(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C13H15Cl2NO3/c1-18-4-5-19-10-7-16(8-10)13(17)11-6-9(14)2-3-12(11)15/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyMUOHLYMHPLXSBD-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.48
Rot. Bonds5

About (2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone

(2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone (PubChem CID 71979962) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone
PubChem CID71979962
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name(2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone
SMILESCOCCOC1CN(C(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C13H15Cl2NO3/c1-18-4-5-19-10-7-16(8-10)13(17)11-6-9(14)2-3-12(11)15/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyMUOHLYMHPLXSBD-UHFFFAOYSA-N
XLogP2.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-1-(2,5-dichlorobenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114085408
(2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65419188
(5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone
CID 70713898
(5-chloro-2-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150855
1-(2,5-dichlorophenyl)-4-methoxy-2-methylbutan-1-one
CID 115807317
(3-aminoazetidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 65244224
[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 53008498
(2,4-dichlorophenyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 52541764
(2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551581
(5-chloro-2-methylphenyl)-[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 70750611
(4-chloro-2-methoxyphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671460
(2,4-dichlorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662344

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone?
The IUPAC name of (2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone (CID 71979962) is (2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone?
The canonical SMILES for (2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone is COCCOC1CN(C(=O)c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of (2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone?
The InChIKey is MUOHLYMHPLXSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-18-4-5-19-10-7-16(8-10)13(17)11-6-9(14)2-3-12(11)15/h2-3,6,10H,4-5,7-8H2,1H3.
What are the key properties of (2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone?
(2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone has a molecular weight of 304.17 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone is sourced from PubChem (CID 71979962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).