2-(4-chloro-3-methylphenoxy)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide

C25H23ClN2O2 — CID 17014631

IUPAC2-(4-chloro-3-methylphenoxy)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide
SMILESCc1cc(OCC(=O)NCC(c2ccccc2)c2c[nH]c3ccccc23)ccc1Cl
InChIInChI=1S/C25H23ClN2O2/c1-17-13-19(11-12-23(17)26)30-16-25(29)28-14-21(18-7-3-2-4-8-18)22-15-27-24-10-6-5-9-20(22)24/h2-13,15,21,27H,14,16H2,1H3,(H,28,29)
InChIKeyIMIYYAOEBDXNLU-UHFFFAOYSA-N
MW418.92 g/mol
LogP5.46
Rot. Bonds7

About 2-(4-chloro-3-methylphenoxy)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide (PubChem CID 17014631) has the molecular formula C25H23ClN2O2 and a molecular weight of 418.92 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide
PubChem CID17014631
Molecular FormulaC25H23ClN2O2
Molecular Weight418.92 g/mol
Exact Mass418.14
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide
SMILESCc1cc(OCC(=O)NCC(c2ccccc2)c2c[nH]c3ccccc23)ccc1Cl
InChIInChI=1S/C25H23ClN2O2/c1-17-13-19(11-12-23(17)26)30-16-25(29)28-14-21(18-7-3-2-4-8-18)22-15-27-24-10-6-5-9-20(22)24/h2-13,15,21,27H,14,16H2,1H3,(H,28,29)
InChIKeyIMIYYAOEBDXNLU-UHFFFAOYSA-N
XLogP5.46
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.92
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide
CID 35129958
2-(4-chlorophenoxy)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide
CID 35129896
2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 35129166
2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014563
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-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7794665
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-(3-chlorophenoxy)-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]acetamide
CID 55344788
2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43915739
2-(4-chloro-3-methylphenoxy)-N-(1-phenylethyl)acetamide
CID 2903059

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide (CID 17014631) is 2-(4-chloro-3-methylphenoxy)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide is Cc1cc(OCC(=O)NCC(c2ccccc2)c2c[nH]c3ccccc23)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide?
The InChIKey is IMIYYAOEBDXNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O2/c1-17-13-19(11-12-23(17)26)30-16-25(29)28-14-21(18-7-3-2-4-8-18)22-15-27-24-10-6-5-9-20(22)24/h2-13,15,21,27H,14,16H2,1H3,(H,28,29).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide has a molecular weight of 418.92 g/mol, XLogP of 5.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide is sourced from PubChem (CID 17014631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).