2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide

C₁₃H₁₆FN₃O₄ — CID 107123005

About 2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide

2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide (PubChem CID 107123005) has the molecular formula C₁₃H₁₆FN₃O₄ and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide.

Molecular Properties

• Compound Name: 2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide
• PubChem CID: 107123005
• Molecular Formula: C₁₃H₁₆FN₃O₄
• Molecular Weight: 297.29 g/mol
• Exact Mass: 297.11
• IUPAC Name: 2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide
• SMILES: COC1CCCC1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N
• InChI: InChI=1S/C13H16FN3O4/c1-21-11-4-2-3-9(11)16-13(18)8-5-7(14)6-10(12(8)15)17(19)20/h5-6,9,11H,2-4,15H2,1H3,(H,16,18)
• InChIKey: ZOXVIBDOIXQZHH-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 107.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.29
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide?

The IUPAC name of 2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide (CID 107123005) is 2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide.

What is the SMILES notation for 2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide?

The canonical SMILES for 2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide is COC1CCCC1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N.

What is the InChIKey of 2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide?

The InChIKey is ZOXVIBDOIXQZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O4/c1-21-11-4-2-3-9(11)16-13(18)8-5-7(14)6-10(12(8)15)17(19)20/h5-6,9,11H,2-4,15H2,1H3,(H,16,18).

What are the key properties of 2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide?

2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide has a molecular weight of 297.29 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide is sourced from PubChem (CID 107123005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107123005 — identifiers, structure, computed properties (public domain)

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