(2S)-4-anilino-2-(4-hydroxy-3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one

C23H20N2O3 — CID 1121145

IUPAC(2S)-4-anilino-2-(4-hydroxy-3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one
SMILESCOc1cc([C@@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)ccc1O
InChIInChI=1S/C23H20N2O3/c1-28-22-14-16(12-13-21(22)26)20-15-19(24-17-8-4-2-5-9-17)23(27)25(20)18-10-6-3-7-11-18/h2-15,20,24,26H,1H3/t20-/m0/s1
InChIKeyAUFLGMDRYAZLDI-FQEVSTJZSA-N
MW372.42 g/mol
LogP4.48
Rot. Bonds5

About (2S)-4-anilino-2-(4-hydroxy-3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one

(2S)-4-anilino-2-(4-hydroxy-3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one (PubChem CID 1121145) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is (2S)-4-anilino-2-(4-hydroxy-3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-4-anilino-2-(4-hydroxy-3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one
PubChem CID1121145
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name(2S)-4-anilino-2-(4-hydroxy-3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one
SMILESCOc1cc([C@@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)ccc1O
InChIInChI=1S/C23H20N2O3/c1-28-22-14-16(12-13-21(22)26)20-15-19(24-17-8-4-2-5-9-17)23(27)25(20)18-10-6-3-7-11-18/h2-15,20,24,26H,1H3/t20-/m0/s1
InChIKeyAUFLGMDRYAZLDI-FQEVSTJZSA-N
XLogP4.48
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-4-anilino-2-(4-hydroxy-3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one 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

4-anilino-2-(2,5-dimethoxyphenyl)-1-phenyl-2H-pyrrol-5-one
CID 2879675
2-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 2865100
(2S)-4-(3,4-dimethoxyanilino)-1-(3,4-dimethoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 124529511
4-[[(2S)-2-(4-chlorophenyl)-5-oxo-1-phenyl-2H-pyrrol-4-yl]amino]-2-hydroxybenzoic acid
CID 29012168
(2R)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 1075189
4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 2875789
ethyl (2S)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate
CID 54737892
2-(2,4-dimethoxyphenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 6618167
ethyl (2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxo-1-phenylpyrrolidine-3-carboxylate
CID 7079517
(4S)-4-(4-hydroxy-3-methoxyphenyl)-1-methyl-6-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7347459
(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1131639
N-[4-[(2S,3E)-2-(4-hydroxy-3-methoxyphenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 98332816

Frequently Asked Questions

What is the IUPAC name of (2S)-4-anilino-2-(4-hydroxy-3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one?
The IUPAC name of (2S)-4-anilino-2-(4-hydroxy-3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one (CID 1121145) is (2S)-4-anilino-2-(4-hydroxy-3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-4-anilino-2-(4-hydroxy-3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one?
The canonical SMILES for (2S)-4-anilino-2-(4-hydroxy-3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one is COc1cc([C@@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)ccc1O.
What is the InChIKey of (2S)-4-anilino-2-(4-hydroxy-3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one?
The InChIKey is AUFLGMDRYAZLDI-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-28-22-14-16(12-13-21(22)26)20-15-19(24-17-8-4-2-5-9-17)23(27)25(20)18-10-6-3-7-11-18/h2-15,20,24,26H,1H3/t20-/m0/s1.
What are the key properties of (2S)-4-anilino-2-(4-hydroxy-3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one?
(2S)-4-anilino-2-(4-hydroxy-3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one has a molecular weight of 372.42 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-anilino-2-(4-hydroxy-3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 1121145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).