azetidin-2-yl-(3-bromophenyl)methanone

C10H10BrNO — CID 84701782

IUPACazetidin-2-yl-(3-bromophenyl)methanone
SMILESO=C(c1cccc(Br)c1)C1CCN1
InChIInChI=1S/C10H10BrNO/c11-8-3-1-2-7(6-8)10(13)9-4-5-12-9/h1-3,6,9,12H,4-5H2
InChIKeyWODASGPILOEPDS-UHFFFAOYSA-N
MW240.10 g/mol
LogP1.99
Rot. Bonds2

About azetidin-2-yl-(3-bromophenyl)methanone

azetidin-2-yl-(3-bromophenyl)methanone (PubChem CID 84701782) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is azetidin-2-yl-(3-bromophenyl)methanone.

Molecular Properties

Compound Nameazetidin-2-yl-(3-bromophenyl)methanone
PubChem CID84701782
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Nameazetidin-2-yl-(3-bromophenyl)methanone
SMILESO=C(c1cccc(Br)c1)C1CCN1
InChIInChI=1S/C10H10BrNO/c11-8-3-1-2-7(6-8)10(13)9-4-5-12-9/h1-3,6,9,12H,4-5H2
InChIKeyWODASGPILOEPDS-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azetidin-2-yl(phenyl)methanone
CID 84651225
(3-bromophenyl)-(oxiran-2-yl)methanone
CID 116826508
(3-bromophenyl)-(oxan-4-yl)methanone
CID 63934842
(4-bromophenyl)-[(2S)-pyrrolidin-2-yl]methanone
CID 42076627
[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-(3-bromophenyl)methanone
CID 155557964
azepan-2-yl-(3-methylphenyl)methanone
CID 84683079
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
(2-aminocyclopentyl)-(3-bromophenyl)methanone
CID 164657811
(3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone
CID 95442884
phenyl(piperidin-2-yl)methanone
CID 19772085
(4-aminophenyl)-(azetidin-2-yl)methanone
CID 84655583
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460

Frequently Asked Questions

What is the IUPAC name of azetidin-2-yl-(3-bromophenyl)methanone?
The IUPAC name of azetidin-2-yl-(3-bromophenyl)methanone (CID 84701782) is azetidin-2-yl-(3-bromophenyl)methanone.
What is the SMILES notation for azetidin-2-yl-(3-bromophenyl)methanone?
The canonical SMILES for azetidin-2-yl-(3-bromophenyl)methanone is O=C(c1cccc(Br)c1)C1CCN1.
What is the InChIKey of azetidin-2-yl-(3-bromophenyl)methanone?
The InChIKey is WODASGPILOEPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c11-8-3-1-2-7(6-8)10(13)9-4-5-12-9/h1-3,6,9,12H,4-5H2.
What are the key properties of azetidin-2-yl-(3-bromophenyl)methanone?
azetidin-2-yl-(3-bromophenyl)methanone has a molecular weight of 240.10 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-2-yl-(3-bromophenyl)methanone is sourced from PubChem (CID 84701782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).