1-(azetidin-3-yl)-2-(2-bromophenyl)ethanone

C11H12BrNO — CID 116583679

IUPAC1-(azetidin-3-yl)-2-(2-bromophenyl)ethanone
SMILESO=C(Cc1ccccc1Br)C1CNC1
InChIInChI=1S/C11H12BrNO/c12-10-4-2-1-3-8(10)5-11(14)9-6-13-7-9/h1-4,9,13H,5-7H2
InChIKeyXPZZYGVEHIARGS-UHFFFAOYSA-N
MW254.13 g/mol
LogP1.78
Rot. Bonds3

About 1-(azetidin-3-yl)-2-(2-bromophenyl)ethanone

1-(azetidin-3-yl)-2-(2-bromophenyl)ethanone (PubChem CID 116583679) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-2-(2-bromophenyl)ethanone.

Molecular Properties

Compound Name1-(azetidin-3-yl)-2-(2-bromophenyl)ethanone
PubChem CID116583679
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name1-(azetidin-3-yl)-2-(2-bromophenyl)ethanone
SMILESO=C(Cc1ccccc1Br)C1CNC1
InChIInChI=1S/C11H12BrNO/c12-10-4-2-1-3-8(10)5-11(14)9-6-13-7-9/h1-4,9,13H,5-7H2
InChIKeyXPZZYGVEHIARGS-UHFFFAOYSA-N
XLogP1.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(azetidin-3-yl)-2-(2-bromophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromophenyl)-1-(oxolan-3-yl)ethanone
CID 63564355
2-(2-bromophenyl)-1-(3,4-dimethylcyclohexyl)ethanone
CID 64738620
2-(2-bromophenyl)-1-(oxan-3-yl)ethanone
CID 65332498
(3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide
CID 81141738
2-(2-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120946157
2-(2-bromophenyl)acetyl bromide
CID 87290551
(3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide
CID 81128811
N-[[(3S,4S)-4-[(2-bromophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanecarboxamide
CID 68837219
2-(2-bromophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
CID 116549733
2-[(2-bromophenyl)methoxy]-1-cyclopropylethanone
CID 82827162
1-(2-aminocyclohexyl)-2-(2-bromophenyl)ethanone
CID 116579842
3-[(2-bromophenyl)methoxymethyl]azetidine
CID 115070714

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-2-(2-bromophenyl)ethanone?
The IUPAC name of 1-(azetidin-3-yl)-2-(2-bromophenyl)ethanone (CID 116583679) is 1-(azetidin-3-yl)-2-(2-bromophenyl)ethanone.
What is the SMILES notation for 1-(azetidin-3-yl)-2-(2-bromophenyl)ethanone?
The canonical SMILES for 1-(azetidin-3-yl)-2-(2-bromophenyl)ethanone is O=C(Cc1ccccc1Br)C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-2-(2-bromophenyl)ethanone?
The InChIKey is XPZZYGVEHIARGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c12-10-4-2-1-3-8(10)5-11(14)9-6-13-7-9/h1-4,9,13H,5-7H2.
What are the key properties of 1-(azetidin-3-yl)-2-(2-bromophenyl)ethanone?
1-(azetidin-3-yl)-2-(2-bromophenyl)ethanone has a molecular weight of 254.13 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-2-(2-bromophenyl)ethanone is sourced from PubChem (CID 116583679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).