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

C18H14ClNO4 — CID 3744576

IUPAC2-[2-(4-chlorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
SMILESO=C(O)CC1=C(O)C(=O)N(c2ccccc2)C1c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClNO4/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)
InChIKeyNIDKBNQBLXAVOC-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.71
Rot. Bonds4

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

2-[2-(4-chlorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid (PubChem CID 3744576) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
PubChem CID3744576
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC Name2-[2-(4-chlorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
SMILESO=C(O)CC1=C(O)C(=O)N(c2ccccc2)C1c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClNO4/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)
InChIKeyNIDKBNQBLXAVOC-UHFFFAOYSA-N
XLogP3.71
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid?
The IUPAC name of 2-[2-(4-chlorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid (CID 3744576) is 2-[2-(4-chlorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid?
The canonical SMILES for 2-[2-(4-chlorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid is O=C(O)CC1=C(O)C(=O)N(c2ccccc2)C1c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid?
The InChIKey is NIDKBNQBLXAVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4/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-chlorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid?
2-[2-(4-chlorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid has a molecular weight of 343.77 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid is sourced from PubChem (CID 3744576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).