2-(4-chlorophenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone

C13H13ClN4O2 — CID 75483915

IUPAC2-(4-chlorophenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CC(n2ccnn2)C1
InChIInChI=1S/C13H13ClN4O2/c14-10-1-3-12(4-2-10)20-9-13(19)17-7-11(8-17)18-6-5-15-16-18/h1-6,11H,7-9H2
InChIKeyNGNONIAADDOJTH-UHFFFAOYSA-N
MW292.73 g/mol
LogP1.39
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone

2-(4-chlorophenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone (PubChem CID 75483915) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
PubChem CID75483915
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name2-(4-chlorophenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CC(n2ccnn2)C1
InChIInChI=1S/C13H13ClN4O2/c14-10-1-3-12(4-2-10)20-9-13(19)17-7-11(8-17)18-6-5-15-16-18/h1-6,11H,7-9H2
InChIKeyNGNONIAADDOJTH-UHFFFAOYSA-N
XLogP1.39
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(o-fluorophenoxy)-1-[(S)-3-(1H-1,2,3-triazol-1-yl)-1-pyrrolidinyl]-1-ethanone
CID 99877273
1-[2-(4-Chlorophenoxy)ethyl]triazole
CID 91661153
1-(4-(1H-1,2,3-triazol-1-yl)piperidin-1-yl)-2-(4-chlorophenoxy)-2-methylpropan-1-one
CID 76150943
1-(4-(1H-1,2,3-triazol-1-yl)piperidin-1-yl)-2-phenoxyethanone
CID 86265088
1-(3-(1H-1,2,3-triazol-1-yl)azetidin-1-yl)-2-(2-methoxyphenoxy)ethanone
CID 91625215
1-((1-(1-(2-(4-chlorophenoxy)acetyl)azetidin-3-yl)-1H-1,2,3-triazol-4-yl)methyl)pyrrolidin-2-one
CID 91629991
2-(4-chlorophenoxy)-1-[3-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]azetidin-1-yl]-2-methylpropan-1-one
CID 97342649
1-(3-(2H-1,2,3-triazol-2-yl)azetidin-1-yl)-2-(4-fluorophenoxy)ethan-1-one
CID 131702666
2-(4-chloro-3-fluorophenoxy)-N-[4-(1-cyclobutyltriazol-4-yl)but-1-en-2-yl]acetamide
CID 156382818
2-(4-Fluorophenoxy)-2-methyl-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one
CID 75473392
1-(3-(1H-1,2,3-triazol-1-yl)pyrrolidin-1-yl)-2-(2-fluorophenoxy)ethanone
CID 76150807
1-[2-(4-Chloro-3-fluorophenoxy)ethyl]triazole
CID 91652610

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone (CID 75483915) is 2-(4-chlorophenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone is O=C(COc1ccc(Cl)cc1)N1CC(n2ccnn2)C1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone?
The InChIKey is NGNONIAADDOJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c14-10-1-3-12(4-2-10)20-9-13(19)17-7-11(8-17)18-6-5-15-16-18/h1-6,11H,7-9H2.
What are the key properties of 2-(4-chlorophenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone?
2-(4-chlorophenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone has a molecular weight of 292.73 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone is sourced from PubChem (CID 75483915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).