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

C17H21ClN2O3 — CID 171518927

IUPACN-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCOCCOc1cc2[nH]c(CNC(=O)C3(C)CC3)cc2cc1Cl
InChIInChI=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)
InChIKeyKJOGFTJMQFQFTE-UHFFFAOYSA-N
MW336.82 g/mol
LogP3.26
Rot. Bonds7

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 NameN-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
PubChem CID171518927
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC NameN-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCOCCOc1cc2[nH]c(CNC(=O)C3(C)CC3)cc2cc1Cl
InChIInChI=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)
InChIKeyKJOGFTJMQFQFTE-UHFFFAOYSA-N
XLogP3.26
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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).