[1-(2,3-dihydroxypropyl)-5-oxo-2H-pyrrol-3-yl] 5-[(4-fluorophenyl)methyl]furan-2-carboxylate

C19H18FNO6 — CID 68640217

About [1-(2,3-dihydroxypropyl)-5-oxo-2H-pyrrol-3-yl] 5-[(4-fluorophenyl)methyl]furan-2-carboxylate

[1-(2,3-dihydroxypropyl)-5-oxo-2H-pyrrol-3-yl] 5-[(4-fluorophenyl)methyl]furan-2-carboxylate (PubChem CID 68640217) has the molecular formula C19H18FNO6 and a molecular weight of 375.35 g/mol. Its IUPAC name is [1-(2,3-dihydroxypropyl)-5-oxo-2H-pyrrol-3-yl] 5-[(4-fluorophenyl)methyl]furan-2-carboxylate.

Molecular Properties

• Compound Name: [1-(2,3-dihydroxypropyl)-5-oxo-2H-pyrrol-3-yl] 5-[(4-fluorophenyl)methyl]furan-2-carboxylate
• PubChem CID: 68640217
• Molecular Formula: C19H18FNO6
• Molecular Weight: 375.35 g/mol
• Exact Mass: 375.11
• IUPAC Name: [1-(2,3-dihydroxypropyl)-5-oxo-2H-pyrrol-3-yl] 5-[(4-fluorophenyl)methyl]furan-2-carboxylate
• SMILES: O=C(OC1=CC(=O)N(CC(O)CO)C1)c1ccc(Cc2ccc(F)cc2)o1
• InChI: InChI=1S/C19H18FNO6/c20-13-3-1-12(2-4-13)7-15-5-6-17(26-15)19(25)27-16-8-18(24)21(10-16)9-14(23)11-22/h1-6,8,14,22-23H,7,9-11H2
• InChIKey: VRVUSFXJTFRDNT-UHFFFAOYSA-N
• XLogP: 1.25
• TPSA: 100.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.35
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydroxypropyl)-5-oxo-2H-pyrrol-3-yl] 5-[(4-fluorophenyl)methyl]furan-2-carboxylate?

The IUPAC name of [1-(2,3-dihydroxypropyl)-5-oxo-2H-pyrrol-3-yl] 5-[(4-fluorophenyl)methyl]furan-2-carboxylate (CID 68640217) is [1-(2,3-dihydroxypropyl)-5-oxo-2H-pyrrol-3-yl] 5-[(4-fluorophenyl)methyl]furan-2-carboxylate.

What is the SMILES notation for [1-(2,3-dihydroxypropyl)-5-oxo-2H-pyrrol-3-yl] 5-[(4-fluorophenyl)methyl]furan-2-carboxylate?

The canonical SMILES for [1-(2,3-dihydroxypropyl)-5-oxo-2H-pyrrol-3-yl] 5-[(4-fluorophenyl)methyl]furan-2-carboxylate is O=C(OC1=CC(=O)N(CC(O)CO)C1)c1ccc(Cc2ccc(F)cc2)o1.

What is the InChIKey of [1-(2,3-dihydroxypropyl)-5-oxo-2H-pyrrol-3-yl] 5-[(4-fluorophenyl)methyl]furan-2-carboxylate?

The InChIKey is VRVUSFXJTFRDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO6/c20-13-3-1-12(2-4-13)7-15-5-6-17(26-15)19(25)27-16-8-18(24)21(10-16)9-14(23)11-22/h1-6,8,14,22-23H,7,9-11H2.

What are the key properties of [1-(2,3-dihydroxypropyl)-5-oxo-2H-pyrrol-3-yl] 5-[(4-fluorophenyl)methyl]furan-2-carboxylate?

[1-(2,3-dihydroxypropyl)-5-oxo-2H-pyrrol-3-yl] 5-[(4-fluorophenyl)methyl]furan-2-carboxylate has a molecular weight of 375.35 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(2,3-dihydroxypropyl)-5-oxo-2H-pyrrol-3-yl] 5-[(4-fluorophenyl)methyl]furan-2-carboxylate is sourced from PubChem (CID 68640217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).