[3-(bromomethyl)azetidin-1-yl]-(3-bromophenyl)methanone

C11H11Br2NO — CID 130531463

IUPAC[3-(bromomethyl)azetidin-1-yl]-(3-bromophenyl)methanone
SMILESO=C(c1cccc(Br)c1)N1CC(CBr)C1
InChIInChI=1S/C11H11Br2NO/c12-5-8-6-14(7-8)11(15)9-2-1-3-10(13)4-9/h1-4,8H,5-7H2
InChIKeyZPPBBNNOEDVNFC-UHFFFAOYSA-N
MW333.02 g/mol
LogP2.92
Rot. Bonds2

About [3-(bromomethyl)azetidin-1-yl]-(3-bromophenyl)methanone

[3-(bromomethyl)azetidin-1-yl]-(3-bromophenyl)methanone (PubChem CID 130531463) has the molecular formula C11H11Br2NO and a molecular weight of 333.02 g/mol. Its IUPAC name is [3-(bromomethyl)azetidin-1-yl]-(3-bromophenyl)methanone.

Molecular Properties

Compound Name[3-(bromomethyl)azetidin-1-yl]-(3-bromophenyl)methanone
PubChem CID130531463
Molecular FormulaC11H11Br2NO
Molecular Weight333.02 g/mol
Exact Mass330.92
IUPAC Name[3-(bromomethyl)azetidin-1-yl]-(3-bromophenyl)methanone
SMILESO=C(c1cccc(Br)c1)N1CC(CBr)C1
InChIInChI=1S/C11H11Br2NO/c12-5-8-6-14(7-8)11(15)9-2-1-3-10(13)4-9/h1-4,8H,5-7H2
InChIKeyZPPBBNNOEDVNFC-UHFFFAOYSA-N
XLogP2.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.02
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-(bromomethyl)pyrrolidin-1-yl]-(3-bromophenyl)methanone
CID 80667449
(3-bromophenyl)-[3-(chloromethyl)piperidin-1-yl]methanone
CID 55187606
(3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride
CID 119377080
(3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372501
(3-bromophenyl)-(3-bromopyrrolidin-1-yl)methanone
CID 80677696
(3-bromophenyl)-spiro[3-aza-8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-ylmethanone
CID 157100215
[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-(3-bromophenyl)methanone
CID 155557964
[3-(bromomethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone
CID 80668330
[3-(bromomethyl)pyrrolidin-1-yl]-(3,5-dibromophenyl)methanone
CID 107974926
(3-bromophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658298
[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810
[4-(bromomethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 80677526

Frequently Asked Questions

What is the IUPAC name of [3-(bromomethyl)azetidin-1-yl]-(3-bromophenyl)methanone?
The IUPAC name of [3-(bromomethyl)azetidin-1-yl]-(3-bromophenyl)methanone (CID 130531463) is [3-(bromomethyl)azetidin-1-yl]-(3-bromophenyl)methanone.
What is the SMILES notation for [3-(bromomethyl)azetidin-1-yl]-(3-bromophenyl)methanone?
The canonical SMILES for [3-(bromomethyl)azetidin-1-yl]-(3-bromophenyl)methanone is O=C(c1cccc(Br)c1)N1CC(CBr)C1.
What is the InChIKey of [3-(bromomethyl)azetidin-1-yl]-(3-bromophenyl)methanone?
The InChIKey is ZPPBBNNOEDVNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NO/c12-5-8-6-14(7-8)11(15)9-2-1-3-10(13)4-9/h1-4,8H,5-7H2.
What are the key properties of [3-(bromomethyl)azetidin-1-yl]-(3-bromophenyl)methanone?
[3-(bromomethyl)azetidin-1-yl]-(3-bromophenyl)methanone has a molecular weight of 333.02 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(bromomethyl)azetidin-1-yl]-(3-bromophenyl)methanone is sourced from PubChem (CID 130531463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).