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

C18H17ClN2O2 — CID 86069599

IUPACN-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCCOc1ccccc1Cl
InChIInChI=1S/C18H17ClN2O2/c19-15-6-2-4-8-17(15)23-10-9-20-18(22)11-13-12-21-16-7-3-1-5-14(13)16/h1-8,12,21H,9-11H2,(H,20,22)
InChIKeyAZEFDFOCWKBYJC-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.56
Rot. Bonds6

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

N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 86069599) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)acetamide
PubChem CID86069599
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCCOc1ccccc1Cl
InChIInChI=1S/C18H17ClN2O2/c19-15-6-2-4-8-17(15)23-10-9-20-18(22)11-13-12-21-16-7-3-1-5-14(13)16/h1-8,12,21H,9-11H2,(H,20,22)
InChIKeyAZEFDFOCWKBYJC-UHFFFAOYSA-N
XLogP3.56
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-N-(1H-indol-3-ylmethyl)acetamide
CID 110673257
N-[2-(4-ethylphenoxy)ethyl]-2-(1H-indol-3-yl)acetamide
CID 113100092
N-[2-(2-fluorophenoxy)ethyl]-3-(1H-indol-3-yl)propanamide
CID 18170635
N-[4-(4-fluorophenoxy)butyl]-2-(1H-indol-3-yl)acetamide
CID 17405014
N-(3-ethenoxypropyl)-2-(1H-indol-3-yl)acetamide
CID 60654256
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 2114473
methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 2539049
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568
3-(1H-indol-3-yl)-N-(2-phenoxyethyl)propanamide
CID 4879910
N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 24563218
N-[2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]-2-(1H-indol-3-yl)acetamide
CID 121057936
N-[3-(2-fluorophenoxy)propyl]-4-(1H-indol-3-yl)butanamide
CID 16574428

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)acetamide (CID 86069599) is N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)NCCOc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is AZEFDFOCWKBYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c19-15-6-2-4-8-17(15)23-10-9-20-18(22)11-13-12-21-16-7-3-1-5-14(13)16/h1-8,12,21H,9-11H2,(H,20,22).
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)acetamide?
N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 328.80 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 86069599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).