2-[2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid

C18H14BrNO4 — CID 3073045

IUPAC2-[2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
SMILESO=C(O)CC1=C(O)C(=O)N(c2ccccc2)C1c1ccc(Br)cc1
InChIInChI=1S/C18H14BrNO4/c19-12-8-6-11(7-9-12)16-14(10-15(21)22)17(23)18(24)20(16)13-4-2-1-3-5-13/h1-9,16,23H,10H2,(H,21,22)
InChIKeyIKQFQTHASNTFMG-UHFFFAOYSA-N
MW388.22 g/mol
LogP3.82
Rot. Bonds4

About 2-[2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid

2-[2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid (PubChem CID 3073045) has the molecular formula C18H14BrNO4 and a molecular weight of 388.22 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
PubChem CID3073045
Molecular FormulaC18H14BrNO4
Molecular Weight388.22 g/mol
Exact Mass387.01
IUPAC Name2-[2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
SMILESO=C(O)CC1=C(O)C(=O)N(c2ccccc2)C1c1ccc(Br)cc1
InChIInChI=1S/C18H14BrNO4/c19-12-8-6-11(7-9-12)16-14(10-15(21)22)17(23)18(24)20(16)13-4-2-1-3-5-13/h1-9,16,23H,10H2,(H,21,22)
InChIKeyIKQFQTHASNTFMG-UHFFFAOYSA-N
XLogP3.82
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-1,2-bis(4-bromophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 2868262
4-acetyl-5-(4-bromophenyl)-3-hydroxy-1-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one
CID 3796276
1H-Pyrrole-3-acetic acid, 2,5-dihydro-1,2-diphenyl-4-hydroxy-5-oxo-
CID 2868155
1H-Pyrrole-3-acetic acid, 2,5-dihydro-2-(4-bromophenyl)-5-oxo-1-phenyl-4-(phenylamino)-
CID 2868636
4-Acetyl-5-(4-bromo-phenyl)-1-(3-bromo-phenyl)-3-hydroxy-1,5-dihydro-pyrrol-2-one
CID 2868074
[2-(4-chlorophenyl)-4-hydroxy-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]acetic acid
CID 3744576
3-[3-acetyl-2-(4-bromophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic Acid
CID 2890248
3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 2890832
4-acetyl-1-(3-bromophenyl)-3-hydroxy-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
CID 2868455
3-acetyl-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 2868899
3-acetyl-2-(4-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 2891508
ethyl 1-(4-bromophenyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
CID 69499266

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid?
The IUPAC name of 2-[2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid (CID 3073045) is 2-[2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid?
The canonical SMILES for 2-[2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid is O=C(O)CC1=C(O)C(=O)N(c2ccccc2)C1c1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid?
The InChIKey is IKQFQTHASNTFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO4/c19-12-8-6-11(7-9-12)16-14(10-15(21)22)17(23)18(24)20(16)13-4-2-1-3-5-13/h1-9,16,23H,10H2,(H,21,22).
What are the key properties of 2-[2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid?
2-[2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid has a molecular weight of 388.22 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid is sourced from PubChem (CID 3073045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).