Chloroprocaine

C₁₃H₁₉ClN₂O₂ — CID 8612

About Chloroprocaine

Chloroprocaine (PubChem CID 8612) has the molecular formula C₁₃H₁₉ClN₂O₂ and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-amino-2-chlorobenzoate.

Molecular Properties

• Compound Name: Chloroprocaine
• PubChem CID: 8612
• Molecular Formula: C₁₃H₁₉ClN₂O₂
• Molecular Weight: 270.76 g/mol
• Exact Mass: 270.11
• IUPAC Name: 2-(diethylamino)ethyl 4-amino-2-chlorobenzoate
• SMILES: CCN(CC)CCOC(=O)c1ccc(N)cc1Cl
• InChI: InChI=1S/C13H19ClN2O2/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14/h5-6,9H,3-4,7-8,15H2,1-2H3
• InChIKey: VDANGULDQQJODZ-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 55.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	270.76
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Chloroprocaine?

The IUPAC name of Chloroprocaine (CID 8612) is 2-(diethylamino)ethyl 4-amino-2-chlorobenzoate.

What is the SMILES notation for Chloroprocaine?

The canonical SMILES for Chloroprocaine is CCN(CC)CCOC(=O)c1ccc(N)cc1Cl.

What is the InChIKey of Chloroprocaine?

The InChIKey is VDANGULDQQJODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14/h5-6,9H,3-4,7-8,15H2,1-2H3.

What are the key properties of Chloroprocaine?

Chloroprocaine has a molecular weight of 270.76 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Chloroprocaine is sourced from PubChem (CID 8612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 8612 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 605 — approved-drug record (CC BY-SA 4.0)

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