4-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl)benzoic acid

C19H15NO5 — CID 666307

IUPAC4-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl)benzoic acid
SMILESCC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)O)cc2)C1c1ccccc1
InChIInChI=1S/C19H15NO5/c1-11(21)15-16(12-5-3-2-4-6-12)20(18(23)17(15)22)14-9-7-13(8-10-14)19(24)25/h2-10,16,22H,1H3,(H,24,25)
InChIKeyHBDFAJNGAOMTDN-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.87
Rot. Bonds4

About 4-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl)benzoic acid

4-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl)benzoic acid (PubChem CID 666307) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is 4-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl)benzoic acid.

Molecular Properties

Compound Name4-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl)benzoic acid
PubChem CID666307
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name4-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl)benzoic acid
SMILESCC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)O)cc2)C1c1ccccc1
InChIInChI=1S/C19H15NO5/c1-11(21)15-16(12-5-3-2-4-6-12)20(18(23)17(15)22)14-9-7-13(8-10-14)19(24)25/h2-10,16,22H,1H3,(H,24,25)
InChIKeyHBDFAJNGAOMTDN-UHFFFAOYSA-N
XLogP2.87
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-acetyl-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one
CID 790603
3-acetyl-4-hydroxy-2-phenyl-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 5236060
3-acetyl-4-hydroxy-1-(3-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 4638719
(2R)-3-acetyl-4-hydroxy-1-(3-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 949634
3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one
CID 3124166
1-(4-fluorophenyl)-4-hydroxy-2-phenyl-3-propanoyl-2H-pyrrol-5-one
CID 108638122
3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one
CID 134115145
methyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 54736162
4-[(2R)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic acid
CID 7068202
(2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(4-hydroxyphenyl)-2H-pyrrol-5-one
CID 7008582
1-(4-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108638973
(2S)-3-acetyl-4-hydroxy-2-(3-hydroxyphenyl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 51854887

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl)benzoic acid?
The IUPAC name of 4-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl)benzoic acid (CID 666307) is 4-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl)benzoic acid.
What is the SMILES notation for 4-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl)benzoic acid?
The canonical SMILES for 4-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl)benzoic acid is CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)O)cc2)C1c1ccccc1.
What is the InChIKey of 4-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl)benzoic acid?
The InChIKey is HBDFAJNGAOMTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c1-11(21)15-16(12-5-3-2-4-6-12)20(18(23)17(15)22)14-9-7-13(8-10-14)19(24)25/h2-10,16,22H,1H3,(H,24,25).
What are the key properties of 4-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl)benzoic acid?
4-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl)benzoic acid has a molecular weight of 337.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl)benzoic acid is sourced from PubChem (CID 666307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).