[3-[(4-bromophenoxy)methyl]azetidin-1-yl]-cyclobutylmethanone

C15H18BrNO2 — CID 146015331

IUPAC[3-[(4-bromophenoxy)methyl]azetidin-1-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CC(COc2ccc(Br)cc2)C1
InChIInChI=1S/C15H18BrNO2/c16-13-4-6-14(7-5-13)19-10-11-8-17(9-11)15(18)12-2-1-3-12/h4-7,11-12H,1-3,8-10H2
InChIKeyUMJDTQLZCGCJGY-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.09
Rot. Bonds4

About [3-[(4-bromophenoxy)methyl]azetidin-1-yl]-cyclobutylmethanone

[3-[(4-bromophenoxy)methyl]azetidin-1-yl]-cyclobutylmethanone (PubChem CID 146015331) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is [3-[(4-bromophenoxy)methyl]azetidin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[3-[(4-bromophenoxy)methyl]azetidin-1-yl]-cyclobutylmethanone
PubChem CID146015331
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC Name[3-[(4-bromophenoxy)methyl]azetidin-1-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CC(COc2ccc(Br)cc2)C1
InChIInChI=1S/C15H18BrNO2/c16-13-4-6-14(7-5-13)19-10-11-8-17(9-11)15(18)12-2-1-3-12/h4-7,11-12H,1-3,8-10H2
InChIKeyUMJDTQLZCGCJGY-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 110638549
[(1S)-cyclohex-3-en-1-yl]-[3-(phenoxymethyl)azetidin-1-yl]methanone
CID 100678884
[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 70738185
cyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 53150344
2-(4-bromophenoxy)-1-cyclohexylethanone
CID 115582228
[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 95277217
1-bromo-4-(cyclobutylmethoxy)benzene;bromomethylcyclobutane;4-bromophenol
CID 161332440
[4-(4-bromophenyl)phenyl] 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
CID 60612547
1-[[4-(cyclobutylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 176930778
1-[3-(4-bromophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 43171031
(3S)-1-[3-(4-bromophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 81120736
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(4-bromophenoxy)ethanone
CID 124611230

Frequently Asked Questions

What is the IUPAC name of [3-[(4-bromophenoxy)methyl]azetidin-1-yl]-cyclobutylmethanone?
The IUPAC name of [3-[(4-bromophenoxy)methyl]azetidin-1-yl]-cyclobutylmethanone (CID 146015331) is [3-[(4-bromophenoxy)methyl]azetidin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [3-[(4-bromophenoxy)methyl]azetidin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [3-[(4-bromophenoxy)methyl]azetidin-1-yl]-cyclobutylmethanone is O=C(C1CCC1)N1CC(COc2ccc(Br)cc2)C1.
What is the InChIKey of [3-[(4-bromophenoxy)methyl]azetidin-1-yl]-cyclobutylmethanone?
The InChIKey is UMJDTQLZCGCJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c16-13-4-6-14(7-5-13)19-10-11-8-17(9-11)15(18)12-2-1-3-12/h4-7,11-12H,1-3,8-10H2.
What are the key properties of [3-[(4-bromophenoxy)methyl]azetidin-1-yl]-cyclobutylmethanone?
[3-[(4-bromophenoxy)methyl]azetidin-1-yl]-cyclobutylmethanone has a molecular weight of 324.22 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-bromophenoxy)methyl]azetidin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 146015331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).