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

C24H19FN2O3 — CID 3073462

IUPAC2-[4-anilino-2-(4-fluorophenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
SMILESO=C(O)CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)C1c1ccc(F)cc1
InChIInChI=1S/C24H19FN2O3/c25-17-13-11-16(12-14-17)23-20(15-21(28)29)22(26-18-7-3-1-4-8-18)24(30)27(23)19-9-5-2-6-10-19/h1-14,23,26H,15H2,(H,28,29)
InChIKeyVIDJILWPKQHREE-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.75
Rot. Bonds6

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

2-[4-anilino-2-(4-fluorophenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid (PubChem CID 3073462) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-[4-anilino-2-(4-fluorophenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-anilino-2-(4-fluorophenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
PubChem CID3073462
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name2-[4-anilino-2-(4-fluorophenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
SMILESO=C(O)CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)C1c1ccc(F)cc1
InChIInChI=1S/C24H19FN2O3/c25-17-13-11-16(12-14-17)23-20(15-21(28)29)22(26-18-7-3-1-4-8-18)24(30)27(23)19-9-5-2-6-10-19/h1-14,23,26H,15H2,(H,28,29)
InChIKeyVIDJILWPKQHREE-UHFFFAOYSA-N
XLogP4.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-anilino-2-(4-fluorophenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid?
The IUPAC name of 2-[4-anilino-2-(4-fluorophenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid (CID 3073462) is 2-[4-anilino-2-(4-fluorophenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid.
What is the SMILES notation for 2-[4-anilino-2-(4-fluorophenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid?
The canonical SMILES for 2-[4-anilino-2-(4-fluorophenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid is O=C(O)CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)C1c1ccc(F)cc1.
What is the InChIKey of 2-[4-anilino-2-(4-fluorophenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid?
The InChIKey is VIDJILWPKQHREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3/c25-17-13-11-16(12-14-17)23-20(15-21(28)29)22(26-18-7-3-1-4-8-18)24(30)27(23)19-9-5-2-6-10-19/h1-14,23,26H,15H2,(H,28,29).
What are the key properties of 2-[4-anilino-2-(4-fluorophenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid?
2-[4-anilino-2-(4-fluorophenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid has a molecular weight of 402.43 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-anilino-2-(4-fluorophenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid is sourced from PubChem (CID 3073462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).