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

C23H16FNO5S — CID 45438805

IUPAC2-[4-[2-(2-fluorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2ccccc2F)cc1
InChIInChI=1S/C23H16FNO5S/c24-16-5-2-1-4-15(16)20-19(21(28)17-6-3-11-31-17)22(29)23(30)25(20)14-9-7-13(8-10-14)12-18(26)27/h1-11,20,29H,12H2,(H,26,27)
InChIKeyAFKQFXYOPRFJBM-UHFFFAOYSA-N
MW437.45 g/mol
LogP4.30
Rot. Bonds6

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

2-[4-[2-(2-fluorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]phenyl]acetic acid (PubChem CID 45438805) has the molecular formula C23H16FNO5S and a molecular weight of 437.45 g/mol. Its IUPAC name is 2-[4-[2-(2-fluorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2-fluorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]phenyl]acetic acid
PubChem CID45438805
Molecular FormulaC23H16FNO5S
Molecular Weight437.45 g/mol
Exact Mass437.07
IUPAC Name2-[4-[2-(2-fluorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2ccccc2F)cc1
InChIInChI=1S/C23H16FNO5S/c24-16-5-2-1-4-15(16)20-19(21(28)17-6-3-11-31-17)22(29)23(30)25(20)14-9-7-13(8-10-14)12-18(26)27/h1-11,20,29H,12H2,(H,26,27)
InChIKeyAFKQFXYOPRFJBM-UHFFFAOYSA-N
XLogP4.30
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(2-fluorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]phenyl]acetic acid with MolForge

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Related Compounds

methyl 2-[4-[4-hydroxy-2-(2-methylphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]phenyl]acetate
CID 108684991
2-(4-ethylphenyl)-4-hydroxy-1-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108649163
1-(4-fluorophenyl)-4-hydroxy-2-(4-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108616422
1-(3-chloro-4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108667372
4-[4-hydroxy-5-oxo-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]benzonitrile
CID 108639435
6-[(2S)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]hexanoate
CID 7289909
2-(2-fluorophenyl)-4-hydroxy-1-(3-methoxypropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3147627
4-hydroxy-1-phenyl-2-pyridin-2-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108626146
3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 3762892
4-hydroxy-2-(2-methylphenyl)-3-(thiophene-2-carbonyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108685252
1-(4-fluorophenyl)-4-hydroxy-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108618583
1-(4-chlorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108605032

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-fluorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-(2-fluorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]phenyl]acetic acid (CID 45438805) is 2-[4-[2-(2-fluorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-(2-fluorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-(2-fluorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]phenyl]acetic acid is O=C(O)Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2ccccc2F)cc1.
What is the InChIKey of 2-[4-[2-(2-fluorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]phenyl]acetic acid?
The InChIKey is AFKQFXYOPRFJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FNO5S/c24-16-5-2-1-4-15(16)20-19(21(28)17-6-3-11-31-17)22(29)23(30)25(20)14-9-7-13(8-10-14)12-18(26)27/h1-11,20,29H,12H2,(H,26,27).
What are the key properties of 2-[4-[2-(2-fluorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]phenyl]acetic acid?
2-[4-[2-(2-fluorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]phenyl]acetic acid has a molecular weight of 437.45 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-fluorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]phenyl]acetic acid is sourced from PubChem (CID 45438805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).