2-(4-chlorophenoxy)-N-(1H-indol-3-ylmethyl)-N-methylacetamide

C18H17ClN2O2 — CID 110733008

IUPAC2-(4-chlorophenoxy)-N-(1H-indol-3-ylmethyl)-N-methylacetamide
SMILESCN(Cc1c[nH]c2ccccc12)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O2/c1-21(11-13-10-20-17-5-3-2-4-16(13)17)18(22)12-23-15-8-6-14(19)7-9-15/h2-10,20H,11-12H2,1H3
InChIKeyNKZHUQAAXHECCJ-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.86
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(1H-indol-3-ylmethyl)-N-methylacetamide

2-(4-chlorophenoxy)-N-(1H-indol-3-ylmethyl)-N-methylacetamide (PubChem CID 110733008) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(1H-indol-3-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(1H-indol-3-ylmethyl)-N-methylacetamide
PubChem CID110733008
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name2-(4-chlorophenoxy)-N-(1H-indol-3-ylmethyl)-N-methylacetamide
SMILESCN(Cc1c[nH]c2ccccc12)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O2/c1-21(11-13-10-20-17-5-3-2-4-16(13)17)18(22)12-23-15-8-6-14(19)7-9-15/h2-10,20H,11-12H2,1H3
InChIKeyNKZHUQAAXHECCJ-UHFFFAOYSA-N
XLogP3.86
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-phenoxyacetamide
CID 110733086
2-(4-chlorophenoxy)-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide
CID 26821155
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79290860
N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-(3-methoxypropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 3484242
methyl 2-[1H-indol-3-ylmethyl(methyl)amino]-2-oxoacetate
CID 115142476
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7659253
N'-(1H-indol-3-ylmethyl)-N'-methyloxamide
CID 115191974
N-[1-[3-(4-chlorophenoxy)propyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55947794
3-(1H-indol-3-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
CID 31180102
2-(4-chlorophenoxy)-N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]acetamide
CID 35344435
2-(4-chlorophenoxy)-N-cyclopropyl-N-(1H-indol-4-ylmethyl)acetamide
CID 39338521
2-(4-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 78801070

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(1H-indol-3-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(1H-indol-3-ylmethyl)-N-methylacetamide (CID 110733008) is 2-(4-chlorophenoxy)-N-(1H-indol-3-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(1H-indol-3-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(1H-indol-3-ylmethyl)-N-methylacetamide is CN(Cc1c[nH]c2ccccc12)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(1H-indol-3-ylmethyl)-N-methylacetamide?
The InChIKey is NKZHUQAAXHECCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-21(11-13-10-20-17-5-3-2-4-16(13)17)18(22)12-23-15-8-6-14(19)7-9-15/h2-10,20H,11-12H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-N-(1H-indol-3-ylmethyl)-N-methylacetamide?
2-(4-chlorophenoxy)-N-(1H-indol-3-ylmethyl)-N-methylacetamide has a molecular weight of 328.80 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(1H-indol-3-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 110733008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).