4-[(2R)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-5-oxo-2H-pyrrol-2-yl]benzoic acid

C24H18FNO4 — CID 94073198

IUPAC4-[(2R)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-5-oxo-2H-pyrrol-2-yl]benzoic acid
SMILESCc1ccc(C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C24H18FNO4/c1-14-2-4-15(5-3-14)20-21(16-6-8-17(9-7-16)24(29)30)26(23(28)22(20)27)19-12-10-18(25)11-13-19/h2-13,21,27H,1H3,(H,29,30)/t21-/m1/s1
InChIKeySAKPQUJNIRLTDJ-OAQYLSRUSA-N
MW403.41 g/mol
LogP4.89
Rot. Bonds4

About 4-[(2R)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-5-oxo-2H-pyrrol-2-yl]benzoic acid

4-[(2R)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-5-oxo-2H-pyrrol-2-yl]benzoic acid (PubChem CID 94073198) has the molecular formula C24H18FNO4 and a molecular weight of 403.41 g/mol. Its IUPAC name is 4-[(2R)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-5-oxo-2H-pyrrol-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[(2R)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-5-oxo-2H-pyrrol-2-yl]benzoic acid
PubChem CID94073198
Molecular FormulaC24H18FNO4
Molecular Weight403.41 g/mol
Exact Mass403.12
IUPAC Name4-[(2R)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-5-oxo-2H-pyrrol-2-yl]benzoic acid
SMILESCc1ccc(C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C24H18FNO4/c1-14-2-4-15(5-3-14)20-21(16-6-8-17(9-7-16)24(29)30)26(23(28)22(20)27)19-12-10-18(25)11-13-19/h2-13,21,27H,1H3,(H,29,30)/t21-/m1/s1
InChIKeySAKPQUJNIRLTDJ-OAQYLSRUSA-N
XLogP4.89
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 50774338
(2R)-2-(4-ethylphenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 94073400
4-[1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-5-oxo-2H-pyrrol-2-yl]benzoic acid
CID 50774285
1,2-bis(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 50774317
(2S)-2-(3-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 94073383
(2S)-2-(4-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 94073399
2-(4-fluorophenyl)-4-hydroxy-1-(4-methylphenyl)-3-(3-phenylprop-2-enoyl)-2H-pyrrol-5-one
CID 3576851
(2R)-2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one
CID 94071830
4-[4-hydroxy-3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-5-oxo-2H-pyrrol-2-yl]benzoic acid
CID 50774191
(4E)-1-(4-fluorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione
CID 6081407
(2S)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-2H-pyrrol-5-one
CID 94072901
(2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 51982027

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-5-oxo-2H-pyrrol-2-yl]benzoic acid?
The IUPAC name of 4-[(2R)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-5-oxo-2H-pyrrol-2-yl]benzoic acid (CID 94073198) is 4-[(2R)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-5-oxo-2H-pyrrol-2-yl]benzoic acid.
What is the SMILES notation for 4-[(2R)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-5-oxo-2H-pyrrol-2-yl]benzoic acid?
The canonical SMILES for 4-[(2R)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-5-oxo-2H-pyrrol-2-yl]benzoic acid is Cc1ccc(C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[(2R)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-5-oxo-2H-pyrrol-2-yl]benzoic acid?
The InChIKey is SAKPQUJNIRLTDJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H18FNO4/c1-14-2-4-15(5-3-14)20-21(16-6-8-17(9-7-16)24(29)30)26(23(28)22(20)27)19-12-10-18(25)11-13-19/h2-13,21,27H,1H3,(H,29,30)/t21-/m1/s1.
What are the key properties of 4-[(2R)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-5-oxo-2H-pyrrol-2-yl]benzoic acid?
4-[(2R)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-5-oxo-2H-pyrrol-2-yl]benzoic acid has a molecular weight of 403.41 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-5-oxo-2H-pyrrol-2-yl]benzoic acid is sourced from PubChem (CID 94073198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).