1-(4-fluoro-3-nitrophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide

C22H25FN4O6 — CID 55571848

About 1-(4-fluoro-3-nitrophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide

1-(4-fluoro-3-nitrophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55571848) has the molecular formula C22H25FN4O6 and a molecular weight of 460.46 g/mol. Its IUPAC name is 1-(4-fluoro-3-nitrophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-fluoro-3-nitrophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 55571848
• Molecular Formula: C22H25FN4O6
• Molecular Weight: 460.46 g/mol
• Exact Mass: 460.18
• IUPAC Name: 1-(4-fluoro-3-nitrophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: Cc1ccc(C(CNC(=O)C2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)N2CCOCC2)o1
• InChI: InChI=1S/C22H25FN4O6/c1-14-2-5-20(33-14)19(25-6-8-32-9-7-25)12-24-22(29)15-10-21(28)26(13-15)16-3-4-17(23)18(11-16)27(30)31/h2-5,11,15,19H,6-10,12-13H2,1H3,(H,24,29)
• InChIKey: OCQAQOBXTUIOLI-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 118.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.46
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-nitrophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of 1-(4-fluoro-3-nitrophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide (CID 55571848) is 1-(4-fluoro-3-nitrophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(4-fluoro-3-nitrophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for 1-(4-fluoro-3-nitrophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(C(CNC(=O)C2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)N2CCOCC2)o1.

What is the InChIKey of 1-(4-fluoro-3-nitrophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is OCQAQOBXTUIOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O6/c1-14-2-5-20(33-14)19(25-6-8-32-9-7-25)12-24-22(29)15-10-21(28)26(13-15)16-3-4-17(23)18(11-16)27(30)31/h2-5,11,15,19H,6-10,12-13H2,1H3,(H,24,29).

What are the key properties of 1-(4-fluoro-3-nitrophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide?

1-(4-fluoro-3-nitrophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 460.46 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluoro-3-nitrophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55571848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).