2-(4-chlorophenoxy)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide

C24H21ClN2O2 — CID 35129896

IUPAC2-(4-chlorophenoxy)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C24H21ClN2O2/c25-18-10-12-19(13-11-18)29-16-24(28)27-14-21(17-6-2-1-3-7-17)22-15-26-23-9-5-4-8-20(22)23/h1-13,15,21,26H,14,16H2,(H,27,28)/t21-/m0/s1
InChIKeyXTQWXTCWXRLCIY-NRFANRHFSA-N
MW404.90 g/mol
LogP5.15
Rot. Bonds7

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

2-(4-chlorophenoxy)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide (PubChem CID 35129896) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide
PubChem CID35129896
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC Name2-(4-chlorophenoxy)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C24H21ClN2O2/c25-18-10-12-19(13-11-18)29-16-24(28)27-14-21(17-6-2-1-3-7-17)22-15-26-23-9-5-4-8-20(22)23/h1-13,15,21,26H,14,16H2,(H,27,28)/t21-/m0/s1
InChIKeyXTQWXTCWXRLCIY-NRFANRHFSA-N
XLogP5.15
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014563
2-(4-chloro-3-methylphenoxy)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide
CID 17014631
N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide
CID 43842707
2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide
CID 35129958
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
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 8019643
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-[2-(1H-indol-3-yl)-2-phenylethyl]-4-phenylbutanamide
CID 46471647
2-(3-chlorophenoxy)-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]acetamide
CID 55344788

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide (CID 35129896) is 2-(4-chlorophenoxy)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide is O=C(COc1ccc(Cl)cc1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide?
The InChIKey is XTQWXTCWXRLCIY-NRFANRHFSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c25-18-10-12-19(13-11-18)29-16-24(28)27-14-21(17-6-2-1-3-7-17)22-15-26-23-9-5-4-8-20(22)23/h1-13,15,21,26H,14,16H2,(H,27,28)/t21-/m0/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide?
2-(4-chlorophenoxy)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide has a molecular weight of 404.90 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide is sourced from PubChem (CID 35129896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).