2-[2-(4-fluorophenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-5-oxo-2H-pyrrol-3-yl]acetic acid

C26H23FN2O3 — CID 3881466

IUPAC2-[2-(4-fluorophenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-5-oxo-2H-pyrrol-3-yl]acetic acid
SMILESCc1ccc(NC2=C(CC(=O)O)C(c3ccc(F)cc3)N(c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C26H23FN2O3/c1-16-3-11-20(12-4-16)28-24-22(15-23(30)31)25(18-7-9-19(27)10-8-18)29(26(24)32)21-13-5-17(2)6-14-21/h3-14,25,28H,15H2,1-2H3,(H,30,31)
InChIKeyWDXUFGNIWPKZQR-UHFFFAOYSA-N
MW430.48 g/mol
LogP5.37
Rot. Bonds6

About 2-[2-(4-fluorophenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-5-oxo-2H-pyrrol-3-yl]acetic acid

2-[2-(4-fluorophenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-5-oxo-2H-pyrrol-3-yl]acetic acid (PubChem CID 3881466) has the molecular formula C26H23FN2O3 and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-5-oxo-2H-pyrrol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-5-oxo-2H-pyrrol-3-yl]acetic acid
PubChem CID3881466
Molecular FormulaC26H23FN2O3
Molecular Weight430.48 g/mol
Exact Mass430.17
IUPAC Name2-[2-(4-fluorophenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-5-oxo-2H-pyrrol-3-yl]acetic acid
SMILESCc1ccc(NC2=C(CC(=O)O)C(c3ccc(F)cc3)N(c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C26H23FN2O3/c1-16-3-11-20(12-4-16)28-24-22(15-23(30)31)25(18-7-9-19(27)10-8-18)29(26(24)32)21-13-5-17(2)6-14-21/h3-14,25,28H,15H2,1-2H3,(H,30,31)
InChIKeyWDXUFGNIWPKZQR-UHFFFAOYSA-N
XLogP5.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.48
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-fluorophenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-5-oxo-2H-pyrrol-3-yl]acetic 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

1H-Pyrrole-3-acetic acid, 2,5-dihydro-2-(4-fluorophenyl)-5-oxo-1-phenyl-4-(phenylamino)-
CID 3073462
(S)-2-[(1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-amino]-3-[4-(4-fluoro-2-trifluoromethyl-benzoylamino)-phenyl]-propionic acid
CID 44376294
2-[1-benzyl-2-oxo-(5S)-dihydro-1H-5-pyrrolylcarboxamido]-3-(4-phenylcarboxamidophenyl)-(2S)-propanoic acid
CID 12043252
4-(((3-((2-(4-Benzylphenylamino)-2-oxoethyl)(methyl)amino)propyl)(methyl)amino)methyl)benzoic acid
CID 44567704
1H-Pyrrole-3-acetic acid, 2,5-dihydro-2-(4-bromophenyl)-5-oxo-1-phenyl-4-(phenylamino)-
CID 2868636
1H-Pyrrole-3-acetic acid, 2,5-dihydro-1-(2-methoxyphenyl)-4-((4-methylphenyl)amino)-5-oxo-2-phenyl-
CID 3073463
(S)-2-{[4-(4-Fluoro-phenyl)-piperazine-1-carbonyl]-amino}-3-phenyl-propionic acid
CID 2001962
2-(4''-Dimethylamino-3,5-difluoro-biphenyl-4-ylcarbamoyl)-cyclopent-1-enecarboxylic acid
CID 44369554
(S)-2-[(1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-amino]-3-[4-(2,4,5-trifluoro-benzoylamino)-phenyl]-propionic acid
CID 44376538
[2-(4-chlorophenyl)-5-oxo-1-phenyl-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]acetic acid
CID 3924438
(4-{2-[(4-Aminomethyl-cyclohexanecarbonyl)-amino]-3-phenyl-propionylamino}-phenyl)-acetic acid
CID 10322647
Influenza A virus-IN-1
CID 141537169

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-5-oxo-2H-pyrrol-3-yl]acetic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-5-oxo-2H-pyrrol-3-yl]acetic acid (CID 3881466) is 2-[2-(4-fluorophenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-5-oxo-2H-pyrrol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-5-oxo-2H-pyrrol-3-yl]acetic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-5-oxo-2H-pyrrol-3-yl]acetic acid is Cc1ccc(NC2=C(CC(=O)O)C(c3ccc(F)cc3)N(c3ccc(C)cc3)C2=O)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-5-oxo-2H-pyrrol-3-yl]acetic acid?
The InChIKey is WDXUFGNIWPKZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O3/c1-16-3-11-20(12-4-16)28-24-22(15-23(30)31)25(18-7-9-19(27)10-8-18)29(26(24)32)21-13-5-17(2)6-14-21/h3-14,25,28H,15H2,1-2H3,(H,30,31).
What are the key properties of 2-[2-(4-fluorophenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-5-oxo-2H-pyrrol-3-yl]acetic acid?
2-[2-(4-fluorophenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-5-oxo-2H-pyrrol-3-yl]acetic acid has a molecular weight of 430.48 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-5-oxo-2H-pyrrol-3-yl]acetic acid is sourced from PubChem (CID 3881466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).