N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide

C24H21BrN2O2 — CID 43842707

IUPACN-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC(c1ccc(Br)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C24H21BrN2O2/c25-18-12-10-17(11-13-18)21(22-15-26-23-9-5-4-8-20(22)23)14-27-24(28)16-29-19-6-2-1-3-7-19/h1-13,15,21,26H,14,16H2,(H,27,28)
InChIKeySBSRHCVLDQZYAZ-UHFFFAOYSA-N
MW449.35 g/mol
LogP5.26
Rot. Bonds7

About N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide

N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide (PubChem CID 43842707) has the molecular formula C24H21BrN2O2 and a molecular weight of 449.35 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide
PubChem CID43842707
Molecular FormulaC24H21BrN2O2
Molecular Weight449.35 g/mol
Exact Mass448.08
IUPAC NameN-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC(c1ccc(Br)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C24H21BrN2O2/c25-18-12-10-17(11-13-18)21(22-15-26-23-9-5-4-8-20(22)23)14-27-24(28)16-29-19-6-2-1-3-7-19/h1-13,15,21,26H,14,16H2,(H,27,28)
InChIKeySBSRHCVLDQZYAZ-UHFFFAOYSA-N
XLogP5.26
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.35
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 35123864
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-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014563
2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide
CID 35129958
2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 35129166
N-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 35124184
2-(4-chloro-3-methylphenoxy)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide
CID 17014631
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[(2S)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide
CID 35124002
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 128963531

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide (CID 43842707) is N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCC(c1ccc(Br)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide?
The InChIKey is SBSRHCVLDQZYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN2O2/c25-18-12-10-17(11-13-18)21(22-15-26-23-9-5-4-8-20(22)23)14-27-24(28)16-29-19-6-2-1-3-7-19/h1-13,15,21,26H,14,16H2,(H,27,28).
What are the key properties of N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide?
N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide has a molecular weight of 449.35 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 43842707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).