1-(2-fluoro-4-methylphenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-oxopyrrolidine-3-carboxamide

C18H21FN2O3 — CID 111697139

About 1-(2-fluoro-4-methylphenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-oxopyrrolidine-3-carboxamide

1-(2-fluoro-4-methylphenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 111697139) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2-fluoro-4-methylphenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 111697139
• Molecular Formula: C18H21FN2O3
• Molecular Weight: 332.38 g/mol
• Exact Mass: 332.15
• IUPAC Name: 1-(2-fluoro-4-methylphenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-oxopyrrolidine-3-carboxamide
• SMILES: Cc1ccc(N2CC(C(=O)N[C@@H]3C=C[C@H](CO)C3)CC2=O)c(F)c1
• InChI: InChI=1S/C18H21FN2O3/c1-11-2-5-16(15(19)6-11)21-9-13(8-17(21)23)18(24)20-14-4-3-12(7-14)10-22/h2-6,12-14,22H,7-10H2,1H3,(H,20,24)/t12-,13?,14+/m0/s1
• InChIKey: ALOUQOIOUQYHQH-SMEJFCCLSA-N
• XLogP: 1.54
• TPSA: 69.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.38
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of 1-(2-fluoro-4-methylphenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-oxopyrrolidine-3-carboxamide (CID 111697139) is 1-(2-fluoro-4-methylphenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)N[C@@H]3C=C[C@H](CO)C3)CC2=O)c(F)c1.

What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is ALOUQOIOUQYHQH-SMEJFCCLSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-11-2-5-16(15(19)6-11)21-9-13(8-17(21)23)18(24)20-14-4-3-12(7-14)10-22/h2-6,12-14,22H,7-10H2,1H3,(H,20,24)/t12-,13?,14+/m0/s1.

What are the key properties of 1-(2-fluoro-4-methylphenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-oxopyrrolidine-3-carboxamide?

1-(2-fluoro-4-methylphenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluoro-4-methylphenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 111697139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).