1-(azetidin-1-yl)-2-(4-bromo-2-methoxyphenyl)ethanone

C12H14BrNO2 — CID 155293575

IUPAC1-(azetidin-1-yl)-2-(4-bromo-2-methoxyphenyl)ethanone
SMILESCOc1cc(Br)ccc1CC(=O)N1CCC1
InChIInChI=1S/C12H14BrNO2/c1-16-11-8-10(13)4-3-9(11)7-12(15)14-5-2-6-14/h3-4,8H,2,5-7H2,1H3
InChIKeyGLHGBFLSVGYGGK-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.23
Rot. Bonds3

About 1-(azetidin-1-yl)-2-(4-bromo-2-methoxyphenyl)ethanone

1-(azetidin-1-yl)-2-(4-bromo-2-methoxyphenyl)ethanone (PubChem CID 155293575) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-(4-bromo-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-(4-bromo-2-methoxyphenyl)ethanone
PubChem CID155293575
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name1-(azetidin-1-yl)-2-(4-bromo-2-methoxyphenyl)ethanone
SMILESCOc1cc(Br)ccc1CC(=O)N1CCC1
InChIInChI=1S/C12H14BrNO2/c1-16-11-8-10(13)4-3-9(11)7-12(15)14-5-2-6-14/h3-4,8H,2,5-7H2,1H3
InChIKeyGLHGBFLSVGYGGK-UHFFFAOYSA-N
XLogP2.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-methoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 155293571
2-(4-bromo-2-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 176516337
2-(2,4-dimethoxyphenyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 39948329
2-(4-bromo-2-methylphenyl)-1-piperidin-1-ylethanone
CID 166638846
ethyl 4-[2-(2,4-dimethoxyphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110809095
2-(5-bromo-2-methoxyphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 115276974
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(2,4-dimethoxyphenyl)ethanone
CID 110806584
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
(4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 78988655
2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
2-(4-bromo-2-methoxyphenyl)-N-cyclobutylacetamide
CID 155293567
2-(6-methoxy-1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylethanone
CID 170759940

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-(4-bromo-2-methoxyphenyl)ethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-(4-bromo-2-methoxyphenyl)ethanone (CID 155293575) is 1-(azetidin-1-yl)-2-(4-bromo-2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-(4-bromo-2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-(4-bromo-2-methoxyphenyl)ethanone is COc1cc(Br)ccc1CC(=O)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-(4-bromo-2-methoxyphenyl)ethanone?
The InChIKey is GLHGBFLSVGYGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-16-11-8-10(13)4-3-9(11)7-12(15)14-5-2-6-14/h3-4,8H,2,5-7H2,1H3.
What are the key properties of 1-(azetidin-1-yl)-2-(4-bromo-2-methoxyphenyl)ethanone?
1-(azetidin-1-yl)-2-(4-bromo-2-methoxyphenyl)ethanone has a molecular weight of 284.15 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-(4-bromo-2-methoxyphenyl)ethanone is sourced from PubChem (CID 155293575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).