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

C26H24ClNO2 — CID 94073303

IUPAC(2S)-1-[(4-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
SMILESCC(C)c1ccc([C@H]2C(c3ccccc3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H24ClNO2/c1-17(2)19-10-12-21(13-11-19)24-23(20-6-4-3-5-7-20)25(29)26(30)28(24)16-18-8-14-22(27)15-9-18/h3-15,17,24,29H,16H2,1-2H3/t24-/m0/s1
InChIKeyYOBHSWKFMJJQJM-DEOSSOPVSA-N
MW417.94 g/mol
LogP6.52
Rot. Bonds5

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

(2S)-1-[(4-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one (PubChem CID 94073303) has the molecular formula C26H24ClNO2 and a molecular weight of 417.94 g/mol. Its IUPAC name is (2S)-1-[(4-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-1-[(4-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
PubChem CID94073303
Molecular FormulaC26H24ClNO2
Molecular Weight417.94 g/mol
Exact Mass417.15
IUPAC Name(2S)-1-[(4-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
SMILESCC(C)c1ccc([C@H]2C(c3ccccc3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H24ClNO2/c1-17(2)19-10-12-21(13-11-19)24-23(20-6-4-3-5-7-20)25(29)26(30)28(24)16-18-8-14-22(27)15-9-18/h3-15,17,24,29H,16H2,1-2H3/t24-/m0/s1
InChIKeyYOBHSWKFMJJQJM-DEOSSOPVSA-N
XLogP6.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.94
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-benzyl-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 51981984
(2R)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 51982033
(2R)-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 94073580
1-[(4-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one
CID 50773881
1-[(4-chlorophenyl)methyl]-4-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one
CID 45031876
(2S)-1-benzyl-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one
CID 51981990
(2S)-3-(4-chlorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-phenyl-2H-pyrrol-5-one
CID 94071913
(2S)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 94072869
(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
(2S)-2-(4-ethylphenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 94072919
(2R)-1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 94073298

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The IUPAC name of (2S)-1-[(4-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one (CID 94073303) is (2S)-1-[(4-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-1-[(4-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for (2S)-1-[(4-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one is CC(C)c1ccc([C@H]2C(c3ccccc3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2S)-1-[(4-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The InChIKey is YOBHSWKFMJJQJM-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H24ClNO2/c1-17(2)19-10-12-21(13-11-19)24-23(20-6-4-3-5-7-20)25(29)26(30)28(24)16-18-8-14-22(27)15-9-18/h3-15,17,24,29H,16H2,1-2H3/t24-/m0/s1.
What are the key properties of (2S)-1-[(4-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
(2S)-1-[(4-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one has a molecular weight of 417.94 g/mol, XLogP of 6.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 94073303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).