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

C24H20BrNO3 — CID 94072874

IUPAC(2R)-2-(3-bromophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
SMILESCOc1ccc(CN2C(=O)C(O)=C(c3ccccc3)[C@H]2c2cccc(Br)c2)cc1
InChIInChI=1S/C24H20BrNO3/c1-29-20-12-10-16(11-13-20)15-26-22(18-8-5-9-19(25)14-18)21(23(27)24(26)28)17-6-3-2-4-7-17/h2-14,22,27H,15H2,1H3/t22-/m1/s1
InChIKeyAEURZMWMYOGTFH-JOCHJYFZSA-N
MW450.33 g/mol
LogP5.51
Rot. Bonds5

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

(2R)-2-(3-bromophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one (PubChem CID 94072874) 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-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-2-(3-bromophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
PubChem CID94072874
Molecular FormulaC24H20BrNO3
Molecular Weight450.33 g/mol
Exact Mass449.06
IUPAC Name(2R)-2-(3-bromophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
SMILESCOc1ccc(CN2C(=O)C(O)=C(c3ccccc3)[C@H]2c2cccc(Br)c2)cc1
InChIInChI=1S/C24H20BrNO3/c1-29-20-12-10-16(11-13-20)15-26-22(18-8-5-9-19(25)14-18)21(23(27)24(26)28)17-6-3-2-4-7-17/h2-14,22,27H,15H2,1H3/t22-/m1/s1
InChIKeyAEURZMWMYOGTFH-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)-1-benzyl-2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 94072786
(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-2-phenyl-2H-pyrrol-5-one
CID 94072850
2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 50774337
(2R)-2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 94073554
(2R)-2-(3-bromophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 94072838
2-(4-ethylphenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 50774223
(2S)-3-(4-chlorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-phenyl-2H-pyrrol-5-one
CID 94071913
(2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
CID 94071969
(2S)-4-hydroxy-3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2-phenyl-2H-pyrrol-5-one
CID 94072929
(2R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2,3-diphenyl-2H-pyrrol-5-one
CID 94072924
2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 50743703
2-(3-bromophenyl)-4-hydroxy-3-(4-methylphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 50773841

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one?
The IUPAC name of (2R)-2-(3-bromophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one (CID 94072874) is (2R)-2-(3-bromophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-2-(3-bromophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one?
The canonical SMILES for (2R)-2-(3-bromophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one is COc1ccc(CN2C(=O)C(O)=C(c3ccccc3)[C@H]2c2cccc(Br)c2)cc1.
What is the InChIKey of (2R)-2-(3-bromophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one?
The InChIKey is AEURZMWMYOGTFH-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H20BrNO3/c1-29-20-12-10-16(11-13-20)15-26-22(18-8-5-9-19(25)14-18)21(23(27)24(26)28)17-6-3-2-4-7-17/h2-14,22,27H,15H2,1H3/t22-/m1/s1.
What are the key properties of (2R)-2-(3-bromophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one?
(2R)-2-(3-bromophenyl)-4-hydroxy-1-[(4-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-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 94072874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).