4-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione

C33H29BrN2O5 — CID 143652087

IUPAC4-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione
SMILESCOC1CC(=O)NC1=O.O=C1CC(c2ccc(Br)cc2OCc2ccccc2)N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H22BrNO2.C5H7NO3/c29-23-13-16-25(27(17-23)32-19-20-7-3-1-4-8-20)26-18-28(31)30(26)24-14-11-22(12-15-24)21-9-5-2-6-10-21;1-9-3-2-4(7)6-5(3)8/h1-17,26H,18-19H2;3H,2H2,1H3,(H,6,7,8)
InChIKeyJOROSAYPLDOHQH-UHFFFAOYSA-N
MW613.51 g/mol
LogP6.22
Rot. Bonds7

About 4-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione

4-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione (PubChem CID 143652087) has the molecular formula C33H29BrN2O5 and a molecular weight of 613.51 g/mol. Its IUPAC name is 4-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name4-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione
PubChem CID143652087
Molecular FormulaC33H29BrN2O5
Molecular Weight613.51 g/mol
Exact Mass612.13
IUPAC Name4-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione
SMILESCOC1CC(=O)NC1=O.O=C1CC(c2ccc(Br)cc2OCc2ccccc2)N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H22BrNO2.C5H7NO3/c29-23-13-16-25(27(17-23)32-19-20-7-3-1-4-8-20)26-18-28(31)30(26)24-14-11-22(12-15-24)21-9-5-2-6-10-21;1-9-3-2-4(7)6-5(3)8/h1-17,26H,18-19H2;3H,2H2,1H3,(H,6,7,8)
InChIKeyJOROSAYPLDOHQH-UHFFFAOYSA-N
XLogP6.22
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.51
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxy-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione
CID 143651905
5-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 143651914
methyl (4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylate
CID 91589926
(4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylic acid
CID 69163950
ethane;4-(4-methoxy-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)-3-sulfanylazetidin-2-one
CID 143652001
(4S)-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one
CID 10882566
(3R,4S)-4-(4-bromo-2-phenylmethoxyphenyl)-3-[(3S)-3-hydroxy-3-(4-methylphenyl)propyl]-1-phenylazetidin-2-one
CID 59782005
4-(4-bromo-2-phenylmethoxyphenyl)-3-methyl-1-phenylazetidin-2-one;1-(4-fluorophenyl)propan-1-ol
CID 143676086
(7R)-7-[2-[(4-bromophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137059334
(5Z)-5-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 5499229
4-bromo-2-(2,2-difluorocyclopropyl)-1-phenylmethoxybenzene
CID 156555603
(7S)-7-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137042770

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione?
The IUPAC name of 4-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione (CID 143652087) is 4-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione.
What is the SMILES notation for 4-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione?
The canonical SMILES for 4-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione is COC1CC(=O)NC1=O.O=C1CC(c2ccc(Br)cc2OCc2ccccc2)N1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione?
The InChIKey is JOROSAYPLDOHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22BrNO2.C5H7NO3/c29-23-13-16-25(27(17-23)32-19-20-7-3-1-4-8-20)26-18-28(31)30(26)24-14-11-22(12-15-24)21-9-5-2-6-10-21;1-9-3-2-4(7)6-5(3)8/h1-17,26H,18-19H2;3H,2H2,1H3,(H,6,7,8).
What are the key properties of 4-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione?
4-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione has a molecular weight of 613.51 g/mol, XLogP of 6.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione is sourced from PubChem (CID 143652087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).