N-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide

C₁₇H₂₁ClN₂O₃ — CID 171518927

About N-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide

N-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 171518927) has the molecular formula C₁₇H₂₁ClN₂O₃ and a molecular weight of 336.82 g/mol. Its IUPAC name is N-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
• PubChem CID: 171518927
• Molecular Formula: C₁₇H₂₁ClN₂O₃
• Molecular Weight: 336.82 g/mol
• Exact Mass: 336.12
• IUPAC Name: N-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
• SMILES: COCCOc1cc2[nH]c(CNC(=O)C3(C)CC3)cc2cc1Cl
• InChI: InChI=1S/C17H21ClN2O3/c1-17(3-4-17)16(21)19-10-12-7-11-8-13(18)15(9-14(11)20-12)23-6-5-22-2/h7-9,20H,3-6,10H2,1-2H3,(H,19,21)
• InChIKey: KJOGFTJMQFQFTE-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 63.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.82
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?

The IUPAC name of N-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide (CID 171518927) is N-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide.

What is the SMILES notation for N-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?

The canonical SMILES for N-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide is COCCOc1cc2[nH]c(CNC(=O)C3(C)CC3)cc2cc1Cl.

What is the InChIKey of N-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?

The InChIKey is KJOGFTJMQFQFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c1-17(3-4-17)16(21)19-10-12-7-11-8-13(18)15(9-14(11)20-12)23-6-5-22-2/h7-9,20H,3-6,10H2,1-2H3,(H,19,21).

What are the key properties of N-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?

N-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 336.82 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 171518927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171518927 — identifiers, structure, computed properties (public domain)

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