2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide

C25H23ClN2O3 — CID 17014563

IUPAC2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(CNC(=O)COc2ccc(Cl)cc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H23ClN2O3/c1-30-19-10-6-17(7-11-19)22(23-15-27-24-5-3-2-4-21(23)24)14-28-25(29)16-31-20-12-8-18(26)9-13-20/h2-13,15,22,27H,14,16H2,1H3,(H,28,29)
InChIKeyCTGJQIYNYBVAQO-UHFFFAOYSA-N
MW434.92 g/mol
LogP5.16
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide

2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 17014563) has the molecular formula C25H23ClN2O3 and a molecular weight of 434.92 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID17014563
Molecular FormulaC25H23ClN2O3
Molecular Weight434.92 g/mol
Exact Mass434.14
IUPAC Name2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(CNC(=O)COc2ccc(Cl)cc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H23ClN2O3/c1-30-19-10-6-17(7-11-19)22(23-15-27-24-5-3-2-4-21(23)24)14-28-25(29)16-31-20-12-8-18(26)9-13-20/h2-13,15,22,27H,14,16H2,1H3,(H,28,29)
InChIKeyCTGJQIYNYBVAQO-UHFFFAOYSA-N
XLogP5.16
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.92
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide
CID 35129896
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17014566
2-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014560
2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 35129166
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 35128972
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide
CID 43842707
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 128963531
2-(4-chloro-3-methylphenoxy)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide
CID 17014631
[2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2-ethoxyacetate
CID 9289695
2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide
CID 35129958

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide (CID 17014563) is 2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(C(CNC(=O)COc2ccc(Cl)cc2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is CTGJQIYNYBVAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O3/c1-30-19-10-6-17(7-11-19)22(23-15-27-24-5-3-2-4-21(23)24)14-28-25(29)16-31-20-12-8-18(26)9-13-20/h2-13,15,22,27H,14,16H2,1H3,(H,28,29).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 434.92 g/mol, XLogP of 5.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 17014563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).