azetidin-1-yl-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone

C13H12ClNO2 — CID 17439317

IUPACazetidin-1-yl-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)N2CCC2)oc2c(Cl)cccc12
InChIInChI=1S/C13H12ClNO2/c1-8-9-4-2-5-10(14)12(9)17-11(8)13(16)15-6-3-7-15/h2,4-5H,3,6-7H2,1H3
InChIKeyYRXBMUDFQZQWAV-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.24
Rot. Bonds1

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

azetidin-1-yl-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 17439317) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is azetidin-1-yl-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone
PubChem CID17439317
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Nameazetidin-1-yl-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)N2CCC2)oc2c(Cl)cccc12
InChIInChI=1S/C13H12ClNO2/c1-8-9-4-2-5-10(14)12(9)17-11(8)13(16)15-6-3-7-15/h2,4-5H,3,6-7H2,1H3
InChIKeyYRXBMUDFQZQWAV-UHFFFAOYSA-N
XLogP3.24
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 51185326
(7-chloro-3-methyl-1-benzofuran-2-yl)-(4-propylpiperazin-1-yl)methanone
CID 9440318
(7-chloro-3-methyl-1-benzofuran-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110878437
(7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2097237
[(3R)-3-aminopyrrolidin-1-yl]-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 119410350
(7-chloro-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 51143726
2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78800961
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 46455033
(7-chloro-3-methyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119539471
(7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
CID 17420074
(7-chloro-3-methyl-1-benzofuran-2-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 16550736
1-(7-chloro-3-methyl-1-benzofuran-2-yl)propan-1-one
CID 139929639

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of azetidin-1-yl-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone (CID 17439317) is azetidin-1-yl-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for azetidin-1-yl-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for azetidin-1-yl-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone is Cc1c(C(=O)N2CCC2)oc2c(Cl)cccc12.
What is the InChIKey of azetidin-1-yl-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is YRXBMUDFQZQWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-8-9-4-2-5-10(14)12(9)17-11(8)13(16)15-6-3-7-15/h2,4-5H,3,6-7H2,1H3.
What are the key properties of azetidin-1-yl-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone?
azetidin-1-yl-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 249.70 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 17439317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).