1-(azetidin-1-yl)-2-(3-bromo-4-phenylmethoxyphenyl)ethanone

C18H18BrNO2 — CID 155798182

IUPAC1-(azetidin-1-yl)-2-(3-bromo-4-phenylmethoxyphenyl)ethanone
SMILESO=C(Cc1ccc(OCc2ccccc2)c(Br)c1)N1CCC1
InChIInChI=1S/C18H18BrNO2/c19-16-11-15(12-18(21)20-9-4-10-20)7-8-17(16)22-13-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12-13H2
InChIKeyUEFWADPRWZCTHD-UHFFFAOYSA-N
MW360.25 g/mol
LogP3.80
Rot. Bonds5

About 1-(azetidin-1-yl)-2-(3-bromo-4-phenylmethoxyphenyl)ethanone

1-(azetidin-1-yl)-2-(3-bromo-4-phenylmethoxyphenyl)ethanone (PubChem CID 155798182) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-(3-bromo-4-phenylmethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-(3-bromo-4-phenylmethoxyphenyl)ethanone
PubChem CID155798182
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC Name1-(azetidin-1-yl)-2-(3-bromo-4-phenylmethoxyphenyl)ethanone
SMILESO=C(Cc1ccc(OCc2ccccc2)c(Br)c1)N1CCC1
InChIInChI=1S/C18H18BrNO2/c19-16-11-15(12-18(21)20-9-4-10-20)7-8-17(16)22-13-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12-13H2
InChIKeyUEFWADPRWZCTHD-UHFFFAOYSA-N
XLogP3.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxy-4-phenylmethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 71313895
azepan-1-yl-(3-bromo-4-phenylmethoxyphenyl)methanone
CID 54793468
(3-bromo-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanethione
CID 1021094
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
2-(3-bromo-4-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82135497
4-[[(3-bromo-4-phenylmethoxyphenyl)methylamino]methyl]benzoic acid
CID 17158211
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]hydroxylamine
CID 117493046
2-[4-[(2-bromo-4-phenylphenoxy)methyl]phenyl]acetic acid
CID 22682634
2-[4-(aminomethyl)-2-bromophenoxy]-1-piperidin-1-ylethanone
CID 55147902
(6-bromo-2-methyl-3-phenylmethoxyphenyl)-piperidin-1-ylmethanone
CID 171369301
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578
2-(3-bromo-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 110767784

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-(3-bromo-4-phenylmethoxyphenyl)ethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-(3-bromo-4-phenylmethoxyphenyl)ethanone (CID 155798182) is 1-(azetidin-1-yl)-2-(3-bromo-4-phenylmethoxyphenyl)ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-(3-bromo-4-phenylmethoxyphenyl)ethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-(3-bromo-4-phenylmethoxyphenyl)ethanone is O=C(Cc1ccc(OCc2ccccc2)c(Br)c1)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-(3-bromo-4-phenylmethoxyphenyl)ethanone?
The InChIKey is UEFWADPRWZCTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO2/c19-16-11-15(12-18(21)20-9-4-10-20)7-8-17(16)22-13-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12-13H2.
What are the key properties of 1-(azetidin-1-yl)-2-(3-bromo-4-phenylmethoxyphenyl)ethanone?
1-(azetidin-1-yl)-2-(3-bromo-4-phenylmethoxyphenyl)ethanone has a molecular weight of 360.25 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-(3-bromo-4-phenylmethoxyphenyl)ethanone is sourced from PubChem (CID 155798182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).