4-(2-bromophenyl)-3-phenylmethoxy-1-prop-2-enylazetidin-2-one

C19H18BrNO2 — CID 11245716

IUPAC4-(2-bromophenyl)-3-phenylmethoxy-1-prop-2-enylazetidin-2-one
SMILESC=CCN1C(=O)C(OCc2ccccc2)C1c1ccccc1Br
InChIInChI=1S/C19H18BrNO2/c1-2-12-21-17(15-10-6-7-11-16(15)20)18(19(21)22)23-13-14-8-4-3-5-9-14/h2-11,17-18H,1,12-13H2
InChIKeyGXAMVTIXNBCRPJ-UHFFFAOYSA-N
MW372.26 g/mol
LogP4.10
Rot. Bonds6

About 4-(2-bromophenyl)-3-phenylmethoxy-1-prop-2-enylazetidin-2-one

4-(2-bromophenyl)-3-phenylmethoxy-1-prop-2-enylazetidin-2-one (PubChem CID 11245716) has the molecular formula C19H18BrNO2 and a molecular weight of 372.26 g/mol. Its IUPAC name is 4-(2-bromophenyl)-3-phenylmethoxy-1-prop-2-enylazetidin-2-one.

Molecular Properties

Compound Name4-(2-bromophenyl)-3-phenylmethoxy-1-prop-2-enylazetidin-2-one
PubChem CID11245716
Molecular FormulaC19H18BrNO2
Molecular Weight372.26 g/mol
Exact Mass371.05
IUPAC Name4-(2-bromophenyl)-3-phenylmethoxy-1-prop-2-enylazetidin-2-one
SMILESC=CCN1C(=O)C(OCc2ccccc2)C1c1ccccc1Br
InChIInChI=1S/C19H18BrNO2/c1-2-12-21-17(15-10-6-7-11-16(15)20)18(19(21)22)23-13-14-8-4-3-5-9-14/h2-11,17-18H,1,12-13H2
InChIKeyGXAMVTIXNBCRPJ-UHFFFAOYSA-N
XLogP4.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S)-2-(2-bromophenyl)-4-oxo-1-prop-2-enylazetidin-3-yl] acetate
CID 15282392
(3R,4S)-1-benzyl-4-ethenyl-3-phenylmethoxyazetidin-2-one
CID 101115524
(3R,4S)-1-[(2-bromophenyl)methyl]-4-[(E)-2-dimethoxyphosphorylethenyl]-3-phenylmethoxyazetidin-2-one
CID 102172899
(3S,4R)-1-benzyl-4-(1-bromo-2-methylpropan-2-yl)-3-phenylmethoxyazetidin-2-one
CID 102175178
(3R,4S)-3-methyl-4-naphthalen-1-yl-1-prop-2-enylazetidin-2-one
CID 15666446
(3R,4S)-3-methoxy-4-[(2S,3R)-4-oxo-3-phenoxy-1-prop-2-enylazetidin-2-yl]-1-prop-2-enylazetidin-2-one
CID 11198655
methyl (E)-4-[(2R,3S)-2-ethynyl-4-oxo-3-phenylmethoxyazetidin-1-yl]but-2-enoate
CID 10804085
(3R,4S)-3-methoxy-1-prop-2-enyl-4-thiophen-3-ylazetidin-2-one
CID 101065904
(3S,4S)-4-(2-chloropropan-2-yl)-3-phenoxy-1-prop-2-enylazetidin-2-one
CID 11150179
4-phenylmethoxy-1-prop-2-enylpiperidine
CID 57075697
(3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)-1-prop-2-enylazepane
CID 71658430
[(2R,3R,4S)-4-acetyloxy-1-benzyl-5-oxo-2-prop-2-enylpyrrolidin-3-yl] acetate
CID 102012893

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-3-phenylmethoxy-1-prop-2-enylazetidin-2-one?
The IUPAC name of 4-(2-bromophenyl)-3-phenylmethoxy-1-prop-2-enylazetidin-2-one (CID 11245716) is 4-(2-bromophenyl)-3-phenylmethoxy-1-prop-2-enylazetidin-2-one.
What is the SMILES notation for 4-(2-bromophenyl)-3-phenylmethoxy-1-prop-2-enylazetidin-2-one?
The canonical SMILES for 4-(2-bromophenyl)-3-phenylmethoxy-1-prop-2-enylazetidin-2-one is C=CCN1C(=O)C(OCc2ccccc2)C1c1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)-3-phenylmethoxy-1-prop-2-enylazetidin-2-one?
The InChIKey is GXAMVTIXNBCRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO2/c1-2-12-21-17(15-10-6-7-11-16(15)20)18(19(21)22)23-13-14-8-4-3-5-9-14/h2-11,17-18H,1,12-13H2.
What are the key properties of 4-(2-bromophenyl)-3-phenylmethoxy-1-prop-2-enylazetidin-2-one?
4-(2-bromophenyl)-3-phenylmethoxy-1-prop-2-enylazetidin-2-one has a molecular weight of 372.26 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-3-phenylmethoxy-1-prop-2-enylazetidin-2-one is sourced from PubChem (CID 11245716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).