azetidin-1-yl-(2-bromo-4-iodophenyl)methanone

C10H9BrINO — CID 172647054

IUPACazetidin-1-yl-(2-bromo-4-iodophenyl)methanone
SMILESO=C(c1ccc(I)cc1Br)N1CCC1
InChIInChI=1S/C10H9BrINO/c11-9-6-7(12)2-3-8(9)10(14)13-4-1-5-13/h2-3,6H,1,4-5H2
InChIKeyZBQODIATXORDGN-UHFFFAOYSA-N
MW366.00 g/mol
LogP2.90
Rot. Bonds1

About azetidin-1-yl-(2-bromo-4-iodophenyl)methanone

azetidin-1-yl-(2-bromo-4-iodophenyl)methanone (PubChem CID 172647054) has the molecular formula C10H9BrINO and a molecular weight of 366.00 g/mol. Its IUPAC name is azetidin-1-yl-(2-bromo-4-iodophenyl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(2-bromo-4-iodophenyl)methanone
PubChem CID172647054
Molecular FormulaC10H9BrINO
Molecular Weight366.00 g/mol
Exact Mass364.89
IUPAC Nameazetidin-1-yl-(2-bromo-4-iodophenyl)methanone
SMILESO=C(c1ccc(I)cc1Br)N1CCC1
InChIInChI=1S/C10H9BrINO/c11-9-6-7(12)2-3-8(9)10(14)13-4-1-5-13/h2-3,6H,1,4-5H2
InChIKeyZBQODIATXORDGN-UHFFFAOYSA-N
XLogP2.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.00
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-5-iodophenyl)-piperidin-1-ylmethanone
CID 103988956
azetidin-1-yl-(2-chloro-4-iodophenyl)methanone
CID 172647056
(2-hydroxy-5-iodophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 103600079
(2-bromo-5-iodophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113364278
(2-bromo-5-iodophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 103994516
azetidin-1-yl-(3-iodophenyl)methanone
CID 58181602
[4-(2-bromobenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 38460982
(2-bromo-5-iodophenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 103997408
(2-bromo-4-chlorophenyl)-(4-methylazepan-1-yl)methanone
CID 107988267
(2-bromo-4-chlorophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 107988289
(3-bromopiperidin-1-yl)-(2,4-dibromophenyl)methanone
CID 107941058
(4-cyclopentylpiperazin-1-yl)-(2,4-dibromophenyl)methanone
CID 103882393

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(2-bromo-4-iodophenyl)methanone?
The IUPAC name of azetidin-1-yl-(2-bromo-4-iodophenyl)methanone (CID 172647054) is azetidin-1-yl-(2-bromo-4-iodophenyl)methanone.
What is the SMILES notation for azetidin-1-yl-(2-bromo-4-iodophenyl)methanone?
The canonical SMILES for azetidin-1-yl-(2-bromo-4-iodophenyl)methanone is O=C(c1ccc(I)cc1Br)N1CCC1.
What is the InChIKey of azetidin-1-yl-(2-bromo-4-iodophenyl)methanone?
The InChIKey is ZBQODIATXORDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrINO/c11-9-6-7(12)2-3-8(9)10(14)13-4-1-5-13/h2-3,6H,1,4-5H2.
What are the key properties of azetidin-1-yl-(2-bromo-4-iodophenyl)methanone?
azetidin-1-yl-(2-bromo-4-iodophenyl)methanone has a molecular weight of 366.00 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(2-bromo-4-iodophenyl)methanone is sourced from PubChem (CID 172647054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).