2-(5-bromo-2-methyl-1H-indol-3-yl)-N-cycloheptylacetamide

C18H23BrN2O — CID 38702160

IUPAC2-(5-bromo-2-methyl-1H-indol-3-yl)-N-cycloheptylacetamide
SMILESCc1[nH]c2ccc(Br)cc2c1CC(=O)NC1CCCCCC1
InChIInChI=1S/C18H23BrN2O/c1-12-15(16-10-13(19)8-9-17(16)20-12)11-18(22)21-14-6-4-2-3-5-7-14/h8-10,14,20H,2-7,11H2,1H3,(H,21,22)
InChIKeyZEFBERHFYGNJRE-UHFFFAOYSA-N
MW363.30 g/mol
LogP4.62
Rot. Bonds3

About 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-cycloheptylacetamide

2-(5-bromo-2-methyl-1H-indol-3-yl)-N-cycloheptylacetamide (PubChem CID 38702160) has the molecular formula C18H23BrN2O and a molecular weight of 363.30 g/mol. Its IUPAC name is 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-methyl-1H-indol-3-yl)-N-cycloheptylacetamide
PubChem CID38702160
Molecular FormulaC18H23BrN2O
Molecular Weight363.30 g/mol
Exact Mass362.10
IUPAC Name2-(5-bromo-2-methyl-1H-indol-3-yl)-N-cycloheptylacetamide
SMILESCc1[nH]c2ccc(Br)cc2c1CC(=O)NC1CCCCCC1
InChIInChI=1S/C18H23BrN2O/c1-12-15(16-10-13(19)8-9-17(16)20-12)11-18(22)21-14-6-4-2-3-5-7-14/h8-10,14,20H,2-7,11H2,1H3,(H,21,22)
InChIKeyZEFBERHFYGNJRE-UHFFFAOYSA-N
XLogP4.62
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-cycloheptylacetamide 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

N-cyclohexyl-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212089
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methylcyclohexyl)acetamide
CID 134005288
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-pentylacetamide
CID 38767316
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 38764960
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 46450419
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
CID 46431425
N-(3-methylcyclohexyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 134005284
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 86925978
5-chloro-3-[2-(cyclohexylamino)-2-oxoethyl]-1H-indole-2-carboxylate
CID 3293452
N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110625213
N'-[2-(4-bromophenoxy)acetyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetohydrazide
CID 78852324
2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide
CID 81288537

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-cycloheptylacetamide?
The IUPAC name of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-cycloheptylacetamide (CID 38702160) is 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-cycloheptylacetamide?
The canonical SMILES for 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-cycloheptylacetamide is Cc1[nH]c2ccc(Br)cc2c1CC(=O)NC1CCCCCC1.
What is the InChIKey of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-cycloheptylacetamide?
The InChIKey is ZEFBERHFYGNJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O/c1-12-15(16-10-13(19)8-9-17(16)20-12)11-18(22)21-14-6-4-2-3-5-7-14/h8-10,14,20H,2-7,11H2,1H3,(H,21,22).
What are the key properties of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-cycloheptylacetamide?
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-cycloheptylacetamide has a molecular weight of 363.30 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-cycloheptylacetamide is sourced from PubChem (CID 38702160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).