2-(6-bromoindol-1-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide

C17H22BrN3O — CID 97266614

IUPAC2-(6-bromoindol-1-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide
SMILESCCN1CCC[C@@H]1CNC(=O)Cn1ccc2ccc(Br)cc21
InChIInChI=1S/C17H22BrN3O/c1-2-20-8-3-4-15(20)11-19-17(22)12-21-9-7-13-5-6-14(18)10-16(13)21/h5-7,9-10,15H,2-4,8,11-12H2,1H3,(H,19,22)/t15-/m1/s1
InChIKeyPIIOQUGCEVRXIS-OAHLLOKOSA-N
MW364.29 g/mol
LogP3.00
Rot. Bonds5

About 2-(6-bromoindol-1-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide

2-(6-bromoindol-1-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide (PubChem CID 97266614) has the molecular formula C17H22BrN3O and a molecular weight of 364.29 g/mol. Its IUPAC name is 2-(6-bromoindol-1-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(6-bromoindol-1-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide
PubChem CID97266614
Molecular FormulaC17H22BrN3O
Molecular Weight364.29 g/mol
Exact Mass363.09
IUPAC Name2-(6-bromoindol-1-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide
SMILESCCN1CCC[C@@H]1CNC(=O)Cn1ccc2ccc(Br)cc21
InChIInChI=1S/C17H22BrN3O/c1-2-20-8-3-4-15(20)11-19-17(22)12-21-9-7-13-5-6-14(18)10-16(13)21/h5-7,9-10,15H,2-4,8,11-12H2,1H3,(H,19,22)/t15-/m1/s1
InChIKeyPIIOQUGCEVRXIS-OAHLLOKOSA-N
XLogP3.00
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(6-bromoindol-1-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-bromoindol-1-yl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 97266615
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6-bromoindol-1-yl)acetamide
CID 42506818
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)indole-6-carboxamide
CID 97266069
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173
2-(4-bromophenoxy)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 9087668
1-(azepan-1-yl)-2-(6-bromoindol-1-yl)ethanone
CID 116622080
N'-(4-bromo-2-fluorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 124568281
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 43411282
1-(6-bromoindol-1-yl)butan-2-one
CID 62039344
(3R)-1-[2-(6-bromoindol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 51972569
1-(1-ethylindol-5-yl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide
CID 20966193
5-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide;hydrobromide
CID 46781582

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoindol-1-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of 2-(6-bromoindol-1-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide (CID 97266614) is 2-(6-bromoindol-1-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(6-bromoindol-1-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(6-bromoindol-1-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide is CCN1CCC[C@@H]1CNC(=O)Cn1ccc2ccc(Br)cc21.
What is the InChIKey of 2-(6-bromoindol-1-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide?
The InChIKey is PIIOQUGCEVRXIS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22BrN3O/c1-2-20-8-3-4-15(20)11-19-17(22)12-21-9-7-13-5-6-14(18)10-16(13)21/h5-7,9-10,15H,2-4,8,11-12H2,1H3,(H,19,22)/t15-/m1/s1.
What are the key properties of 2-(6-bromoindol-1-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide?
2-(6-bromoindol-1-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide has a molecular weight of 364.29 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoindol-1-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 97266614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).