N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide

C18H15ClN2O3 — CID 3936614

IUPACN-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NCCOc1ccccc1Cl)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H15ClN2O3/c19-14-6-2-4-8-16(14)24-10-9-20-18(23)17(22)13-11-21-15-7-3-1-5-12(13)15/h1-8,11,21H,9-10H2,(H,20,23)
InChIKeyZBQWXDVLRFDJLZ-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.20
Rot. Bonds6

About N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide

N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 3936614) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID3936614
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NCCOc1ccccc1Cl)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H15ClN2O3/c19-14-6-2-4-8-16(14)24-10-9-20-18(23)17(22)13-11-21-15-7-3-1-5-12(13)15/h1-8,11,21H,9-10H2,(H,20,23)
InChIKeyZBQWXDVLRFDJLZ-UHFFFAOYSA-N
XLogP3.20
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide (CID 3936614) is N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide is O=C(NCCOc1ccccc1Cl)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is ZBQWXDVLRFDJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c19-14-6-2-4-8-16(14)24-10-9-20-18(23)17(22)13-11-21-15-7-3-1-5-12(13)15/h1-8,11,21H,9-10H2,(H,20,23).
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 342.78 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 3936614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).