(2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one

C23H16BrCl2NO2 — CID 94071969

IUPAC(2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
SMILESO=C1C(O)=C(c2ccc(Cl)cc2)[C@H](c2cccc(Br)c2)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C23H16BrCl2NO2/c24-17-3-1-2-16(12-17)21-20(15-6-10-19(26)11-7-15)22(28)23(29)27(21)13-14-4-8-18(25)9-5-14/h1-12,21,28H,13H2/t21-/m0/s1
InChIKeyVPPCQGCXWFGFMU-NRFANRHFSA-N
MW489.20 g/mol
LogP6.81
Rot. Bonds4

About (2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one

(2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one (PubChem CID 94071969) has the molecular formula C23H16BrCl2NO2 and a molecular weight of 489.20 g/mol. Its IUPAC name is (2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
PubChem CID94071969
Molecular FormulaC23H16BrCl2NO2
Molecular Weight489.20 g/mol
Exact Mass486.97
IUPAC Name(2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
SMILESO=C1C(O)=C(c2ccc(Cl)cc2)[C@H](c2cccc(Br)c2)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C23H16BrCl2NO2/c24-17-3-1-2-16(12-17)21-20(15-6-10-19(26)11-7-15)22(28)23(29)27(21)13-14-4-8-18(25)9-5-14/h1-12,21,28H,13H2/t21-/m0/s1
InChIKeyVPPCQGCXWFGFMU-NRFANRHFSA-N
XLogP6.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.20
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
CID 94071971
2-(4-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
CID 50743696
2-(3-bromophenyl)-4-hydroxy-3-(4-methylphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 50773841
(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
1-[(4-chlorophenyl)methyl]-4-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one
CID 45031876
(2S)-3-(4-chlorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-phenyl-2H-pyrrol-5-one
CID 94071913
(2R)-2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 94073554
1-[(4-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one
CID 50773881
(2R)-1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 94073298
2-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 45031837
(2R)-2-(3-bromophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 94072838

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of (2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one (CID 94071969) is (2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for (2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one is O=C1C(O)=C(c2ccc(Cl)cc2)[C@H](c2cccc(Br)c2)N1Cc1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is VPPCQGCXWFGFMU-NRFANRHFSA-N. The full InChI is InChI=1S/C23H16BrCl2NO2/c24-17-3-1-2-16(12-17)21-20(15-6-10-19(26)11-7-15)22(28)23(29)27(21)13-14-4-8-18(25)9-5-14/h1-12,21,28H,13H2/t21-/m0/s1.
What are the key properties of (2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one?
(2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 489.20 g/mol, XLogP of 6.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 94071969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).