5-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)pyrrolidin-2-one

C29H24BrNO2 — CID 143651914

IUPAC5-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)pyrrolidin-2-one
SMILESO=C1CCC(c2ccc(Br)cc2OCc2ccccc2)N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H24BrNO2/c30-24-13-16-26(28(19-24)33-20-21-7-3-1-4-8-21)27-17-18-29(32)31(27)25-14-11-23(12-15-25)22-9-5-2-6-10-22/h1-16,19,27H,17-18,20H2
InChIKeyPBFVNETVPVKADS-UHFFFAOYSA-N
MW498.42 g/mol
LogP7.56
Rot. Bonds6

About 5-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)pyrrolidin-2-one

5-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)pyrrolidin-2-one (PubChem CID 143651914) has the molecular formula C29H24BrNO2 and a molecular weight of 498.42 g/mol. Its IUPAC name is 5-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)pyrrolidin-2-one
PubChem CID143651914
Molecular FormulaC29H24BrNO2
Molecular Weight498.42 g/mol
Exact Mass497.10
IUPAC Name5-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)pyrrolidin-2-one
SMILESO=C1CCC(c2ccc(Br)cc2OCc2ccccc2)N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H24BrNO2/c30-24-13-16-26(28(19-24)33-20-21-7-3-1-4-8-21)27-17-18-29(32)31(27)25-14-11-23(12-15-25)22-9-5-2-6-10-22/h1-16,19,27H,17-18,20H2
InChIKeyPBFVNETVPVKADS-UHFFFAOYSA-N
XLogP7.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.42
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione
CID 143652087
(5S)-1-phenyl-5-(7-phenylmethoxy-1H-indol-3-yl)pyrrolidin-2-one
CID 102198836
(4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylic acid
CID 69163950
4-(4-methoxy-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione
CID 143651905
methyl (4R,5R)-5-(4-bromo-2-phenylmethoxyphenyl)-2-oxo-3-phenylimidazolidine-4-carboxylate
CID 91589926
ethane;4-(4-methoxy-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)-3-sulfanylazetidin-2-one
CID 143652001
(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
5-[2-hydroxy-4-[(3E,5E)-5-hydroxyhepta-1,3,5-trien-3-yl]phenyl]-1-(4-phenylphenyl)pyrrolidin-2-one
CID 143652057
4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene
CID 54061452
4-bromo-2-(2,2-difluorocyclopropyl)-1-phenylmethoxybenzene
CID 156555603
3-[2-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]-5-oxopyrrolidin-1-yl]benzoic acid
CID 90836434

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)pyrrolidin-2-one?
The IUPAC name of 5-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)pyrrolidin-2-one (CID 143651914) is 5-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)pyrrolidin-2-one?
The canonical SMILES for 5-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)pyrrolidin-2-one is O=C1CCC(c2ccc(Br)cc2OCc2ccccc2)N1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)pyrrolidin-2-one?
The InChIKey is PBFVNETVPVKADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24BrNO2/c30-24-13-16-26(28(19-24)33-20-21-7-3-1-4-8-21)27-17-18-29(32)31(27)25-14-11-23(12-15-25)22-9-5-2-6-10-22/h1-16,19,27H,17-18,20H2.
What are the key properties of 5-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)pyrrolidin-2-one?
5-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)pyrrolidin-2-one has a molecular weight of 498.42 g/mol, XLogP of 7.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 143651914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).