3-[5-(4-fluorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid

C18H15FN2O4 — CID 2980948

IUPAC3-[5-(4-fluorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccc(F)cc2)n1NC(=O)c1ccco1
InChIInChI=1S/C18H15FN2O4/c19-13-5-3-12(4-6-13)15-9-7-14(8-10-17(22)23)21(15)20-18(24)16-2-1-11-25-16/h1-7,9,11H,8,10H2,(H,20,24)(H,22,23)
InChIKeyUOEKWXYCGHPOMF-UHFFFAOYSA-N
MW342.33 g/mol
LogP3.29
Rot. Bonds6

About 3-[5-(4-fluorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid

3-[5-(4-fluorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid (PubChem CID 2980948) has the molecular formula C18H15FN2O4 and a molecular weight of 342.33 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid
PubChem CID2980948
Molecular FormulaC18H15FN2O4
Molecular Weight342.33 g/mol
Exact Mass342.10
IUPAC Name3-[5-(4-fluorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccc(F)cc2)n1NC(=O)c1ccco1
InChIInChI=1S/C18H15FN2O4/c19-13-5-3-12(4-6-13)15-9-7-14(8-10-17(22)23)21(15)20-18(24)16-2-1-11-25-16/h1-7,9,11H,8,10H2,(H,20,24)(H,22,23)
InChIKeyUOEKWXYCGHPOMF-UHFFFAOYSA-N
XLogP3.29
TPSA84.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[5-(4-fluorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(4-fluorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid (CID 2980948) is 3-[5-(4-fluorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid is O=C(O)CCc1ccc(-c2ccc(F)cc2)n1NC(=O)c1ccco1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid?
The InChIKey is UOEKWXYCGHPOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4/c19-13-5-3-12(4-6-13)15-9-7-14(8-10-17(22)23)21(15)20-18(24)16-2-1-11-25-16/h1-7,9,11H,8,10H2,(H,20,24)(H,22,23).
What are the key properties of 3-[5-(4-fluorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid?
3-[5-(4-fluorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid has a molecular weight of 342.33 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid is sourced from PubChem (CID 2980948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).