(2R)-2-(3-bromophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one

C24H20BrNO3 — CID 94072838

IUPAC(2R)-2-(3-bromophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
SMILESCOc1ccccc1CN1C(=O)C(O)=C(c2ccccc2)[C@H]1c1cccc(Br)c1
InChIInChI=1S/C24H20BrNO3/c1-29-20-13-6-5-10-18(20)15-26-22(17-11-7-12-19(25)14-17)21(23(27)24(26)28)16-8-3-2-4-9-16/h2-14,22,27H,15H2,1H3/t22-/m1/s1
InChIKeyIQBNPCYMHJHUCL-JOCHJYFZSA-N
MW450.33 g/mol
LogP5.51
Rot. Bonds5

About (2R)-2-(3-bromophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one

(2R)-2-(3-bromophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one (PubChem CID 94072838) has the molecular formula C24H20BrNO3 and a molecular weight of 450.33 g/mol. Its IUPAC name is (2R)-2-(3-bromophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-2-(3-bromophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
PubChem CID94072838
Molecular FormulaC24H20BrNO3
Molecular Weight450.33 g/mol
Exact Mass449.06
IUPAC Name(2R)-2-(3-bromophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
SMILESCOc1ccccc1CN1C(=O)C(O)=C(c2ccccc2)[C@H]1c1cccc(Br)c1
InChIInChI=1S/C24H20BrNO3/c1-29-20-13-6-5-10-18(20)15-26-22(17-11-7-12-19(25)14-17)21(23(27)24(26)28)16-8-3-2-4-9-16/h2-14,22,27H,15H2,1H3/t22-/m1/s1
InChIKeyIQBNPCYMHJHUCL-JOCHJYFZSA-N
XLogP5.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.33
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-bromophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 94072874
(2R)-1-benzyl-2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 94072786
(2S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 94073209
(2S)-2-(4-chlorophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 94072815
2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 50774337
(2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
CID 94071969
methyl 4-[(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-2-yl]benzoate
CID 94073146
(2R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2,3-diphenyl-2H-pyrrol-5-one
CID 94072924
(2R)-2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 94073554
2-(3-bromophenyl)-4-hydroxy-3-(4-methylphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 50773841
2-(3,4-dimethoxyphenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108700710
1-butyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one
CID 67121528

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one?
The IUPAC name of (2R)-2-(3-bromophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one (CID 94072838) is (2R)-2-(3-bromophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-2-(3-bromophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one?
The canonical SMILES for (2R)-2-(3-bromophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one is COc1ccccc1CN1C(=O)C(O)=C(c2ccccc2)[C@H]1c1cccc(Br)c1.
What is the InChIKey of (2R)-2-(3-bromophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one?
The InChIKey is IQBNPCYMHJHUCL-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H20BrNO3/c1-29-20-13-6-5-10-18(20)15-26-22(17-11-7-12-19(25)14-17)21(23(27)24(26)28)16-8-3-2-4-9-16/h2-14,22,27H,15H2,1H3/t22-/m1/s1.
What are the key properties of (2R)-2-(3-bromophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one?
(2R)-2-(3-bromophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one has a molecular weight of 450.33 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 94072838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).