2-(azetidin-3-yl)-1-(7-chloro-1-benzofuran-2-yl)ethanone

C13H12ClNO2 — CID 114736812

IUPAC2-(azetidin-3-yl)-1-(7-chloro-1-benzofuran-2-yl)ethanone
SMILESO=C(CC1CNC1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C13H12ClNO2/c14-10-3-1-2-9-5-12(17-13(9)10)11(16)4-8-6-15-7-8/h1-3,5,8,15H,4,6-7H2
InChIKeyBSSIENFFYMEKNI-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.88
Rot. Bonds3

About 2-(azetidin-3-yl)-1-(7-chloro-1-benzofuran-2-yl)ethanone

2-(azetidin-3-yl)-1-(7-chloro-1-benzofuran-2-yl)ethanone (PubChem CID 114736812) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(7-chloro-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(7-chloro-1-benzofuran-2-yl)ethanone
PubChem CID114736812
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name2-(azetidin-3-yl)-1-(7-chloro-1-benzofuran-2-yl)ethanone
SMILESO=C(CC1CNC1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C13H12ClNO2/c14-10-3-1-2-9-5-12(17-13(9)10)11(16)4-8-6-15-7-8/h1-3,5,8,15H,4,6-7H2
InChIKeyBSSIENFFYMEKNI-UHFFFAOYSA-N
XLogP2.88
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114736814
1-(7-chloro-1-benzofuran-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone
CID 114725938
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentylsulfanylethanone
CID 114725382
1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-4-ylethanone
CID 114736371
4-amino-1-(7-chloro-1-benzofuran-2-yl)butan-1-one
CID 114736248
2-[1-(aminomethyl)cyclobutyl]-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114737144
(7-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 114725485
1-(7-chloro-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-one
CID 105133323
1-(7-chloro-1-benzofuran-2-yl)-3-methoxybutan-1-one
CID 114726061
2-cyclohexyl-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 115808413
2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 115809805
2-[1-(aminomethyl)cyclohexyl]-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114737415

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(7-chloro-1-benzofuran-2-yl)ethanone?
The IUPAC name of 2-(azetidin-3-yl)-1-(7-chloro-1-benzofuran-2-yl)ethanone (CID 114736812) is 2-(azetidin-3-yl)-1-(7-chloro-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(7-chloro-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 2-(azetidin-3-yl)-1-(7-chloro-1-benzofuran-2-yl)ethanone is O=C(CC1CNC1)c1cc2cccc(Cl)c2o1.
What is the InChIKey of 2-(azetidin-3-yl)-1-(7-chloro-1-benzofuran-2-yl)ethanone?
The InChIKey is BSSIENFFYMEKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c14-10-3-1-2-9-5-12(17-13(9)10)11(16)4-8-6-15-7-8/h1-3,5,8,15H,4,6-7H2.
What are the key properties of 2-(azetidin-3-yl)-1-(7-chloro-1-benzofuran-2-yl)ethanone?
2-(azetidin-3-yl)-1-(7-chloro-1-benzofuran-2-yl)ethanone has a molecular weight of 249.70 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-(7-chloro-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 114736812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).