2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide

C20H21ClN2O2 — CID 3514289

IUPAC2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCCn1ccc2ccccc21
InChIInChI=1S/C20H21ClN2O2/c1-20(2,25-17-9-7-16(21)8-10-17)19(24)22-12-14-23-13-11-15-5-3-4-6-18(15)23/h3-11,13H,12,14H2,1-2H3,(H,22,24)
InChIKeyREAYDJMFGUMVAG-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.27
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide

2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide (PubChem CID 3514289) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide
PubChem CID3514289
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCCn1ccc2ccccc21
InChIInChI=1S/C20H21ClN2O2/c1-20(2,25-17-9-7-16(21)8-10-17)19(24)22-12-14-23-13-11-15-5-3-4-6-18(15)23/h3-11,13H,12,14H2,1-2H3,(H,22,24)
InChIKeyREAYDJMFGUMVAG-UHFFFAOYSA-N
XLogP4.27
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-({2-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yloxy]-ethyl}-methyl-amino)-ethyl]-imidazolidin-2-one
CID 9802796
N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxypropanamide
CID 4200910
N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxyacetamide
CID 4606333
1-[2-({2-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yloxy]-ethyl}-ethyl-amino)-ethyl]-imidazolidin-2-one
CID 10503470
1-[2-({2-[6-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yloxy]-ethyl}-methyl-amino)-ethyl]-imidazolidin-2-one
CID 10550615
2-(3-Chlorophenoxy)-n-{1-[3-(1h-pyrrol-1-yl)benzyl]piperidin-4-yl}acetamide
CID 11604236
N-(4-Chlorophenyl)-2-[[4-quinolinyl]oxy]propanamide
CID 44219888
(E)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide
CID 90677073
1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-2-phenoxyethanone
CID 712506
Ethyl 2-[2-(4-chloro-3-methylphenoxy)acetylamino]-3-indol-3-ylpropanoate
CID 2787534
N-[2-(2-methyl-1H-indol-1-yl)ethyl]-2-phenoxypropanamide
CID 4047587
Ethyl 2-[2-(4-chlorophenoxy)acetylamino]-3-indol-3-ylpropanoate
CID 4140463

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide (CID 3514289) is 2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCn1ccc2ccccc21.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide?
The InChIKey is REAYDJMFGUMVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-20(2,25-17-9-7-16(21)8-10-17)19(24)22-12-14-23-13-11-15-5-3-4-6-18(15)23/h3-11,13H,12,14H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide?
2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide has a molecular weight of 356.85 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)-2-methylpropanamide is sourced from PubChem (CID 3514289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).