2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide

C₁₄H₁₉IN₂O — CID 83071800

About 2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide

2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 83071800) has the molecular formula C₁₄H₁₉IN₂O and a molecular weight of 358.22 g/mol. Its IUPAC name is 2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide
• PubChem CID: 83071800
• Molecular Formula: C₁₄H₁₉IN₂O
• Molecular Weight: 358.22 g/mol
• Exact Mass: 358.05
• IUPAC Name: 2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide
• SMILES: CCC1(C(=O)Nc2ccc(I)cc2C)CCCN1
• InChI: InChI=1S/C14H19IN2O/c1-3-14(7-4-8-16-14)13(18)17-12-6-5-11(15)9-10(12)2/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,17,18)
• InChIKey: AQQMFRNFBMTAES-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 41.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.22
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide?

The IUPAC name of 2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide (CID 83071800) is 2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide.

What is the SMILES notation for 2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide?

The canonical SMILES for 2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide is CCC1(C(=O)Nc2ccc(I)cc2C)CCCN1.

What is the InChIKey of 2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide?

The InChIKey is AQQMFRNFBMTAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O/c1-3-14(7-4-8-16-14)13(18)17-12-6-5-11(15)9-10(12)2/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,17,18).

What are the key properties of 2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide?

2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 358.22 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 83071800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 83071800 — identifiers, structure, computed properties (public domain)

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