azetidin-1-yl-(2-bromo-6-methylphenyl)methanone

C11H12BrNO — CID 130648617

IUPACazetidin-1-yl-(2-bromo-6-methylphenyl)methanone
SMILESCc1cccc(Br)c1C(=O)N1CCC1
InChIInChI=1S/C11H12BrNO/c1-8-4-2-5-9(12)10(8)11(14)13-6-3-7-13/h2,4-5H,3,6-7H2,1H3
InChIKeyXEZPCPTXTWOENY-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.60
Rot. Bonds1

About azetidin-1-yl-(2-bromo-6-methylphenyl)methanone

azetidin-1-yl-(2-bromo-6-methylphenyl)methanone (PubChem CID 130648617) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is azetidin-1-yl-(2-bromo-6-methylphenyl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(2-bromo-6-methylphenyl)methanone
PubChem CID130648617
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Nameazetidin-1-yl-(2-bromo-6-methylphenyl)methanone
SMILESCc1cccc(Br)c1C(=O)N1CCC1
InChIInChI=1S/C11H12BrNO/c1-8-4-2-5-9(12)10(8)11(14)13-6-3-7-13/h2,4-5H,3,6-7H2,1H3
InChIKeyXEZPCPTXTWOENY-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(2-hydroxy-6-methylphenyl)-morpholin-4-ylmethanone
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aziridin-1-yl-(2-bromo-3-methylphenyl)methanone
CID 131089589
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[4-(2-bromophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 113079338
(2-amino-6-methylphenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107210103
4-(2,6-dimethylbenzoyl)-1,4-diazepan-2-one
CID 113258340
4-benzoyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxamide
CID 112826100
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
1-(2-bromo-6-methylphenyl)-2-chloroethanone
CID 130742601
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CID 114561026

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(2-bromo-6-methylphenyl)methanone?
The IUPAC name of azetidin-1-yl-(2-bromo-6-methylphenyl)methanone (CID 130648617) is azetidin-1-yl-(2-bromo-6-methylphenyl)methanone.
What is the SMILES notation for azetidin-1-yl-(2-bromo-6-methylphenyl)methanone?
The canonical SMILES for azetidin-1-yl-(2-bromo-6-methylphenyl)methanone is Cc1cccc(Br)c1C(=O)N1CCC1.
What is the InChIKey of azetidin-1-yl-(2-bromo-6-methylphenyl)methanone?
The InChIKey is XEZPCPTXTWOENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-8-4-2-5-9(12)10(8)11(14)13-6-3-7-13/h2,4-5H,3,6-7H2,1H3.
What are the key properties of azetidin-1-yl-(2-bromo-6-methylphenyl)methanone?
azetidin-1-yl-(2-bromo-6-methylphenyl)methanone has a molecular weight of 254.13 g/mol, XLogP of 2.60, 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-6-methylphenyl)methanone is sourced from PubChem (CID 130648617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).