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

C16H21BrN2O — CID 38767316

IUPAC2-(5-bromo-2-methyl-1H-indol-3-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1c(C)[nH]c2ccc(Br)cc12
InChIInChI=1S/C16H21BrN2O/c1-3-4-5-8-18-16(20)10-13-11(2)19-15-7-6-12(17)9-14(13)15/h6-7,9,19H,3-5,8,10H2,1-2H3,(H,18,20)
InChIKeyRUYDMLMIXQPWMV-UHFFFAOYSA-N
MW337.26 g/mol
LogP4.09
Rot. Bonds6

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

2-(5-bromo-2-methyl-1H-indol-3-yl)-N-pentylacetamide (PubChem CID 38767316) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-pentylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-methyl-1H-indol-3-yl)-N-pentylacetamide
PubChem CID38767316
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name2-(5-bromo-2-methyl-1H-indol-3-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1c(C)[nH]c2ccc(Br)cc12
InChIInChI=1S/C16H21BrN2O/c1-3-4-5-8-18-16(20)10-13-11(2)19-15-7-6-12(17)9-14(13)15/h6-7,9,19H,3-5,8,10H2,1-2H3,(H,18,20)
InChIKeyRUYDMLMIXQPWMV-UHFFFAOYSA-N
XLogP4.09
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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-cycloheptylacetamide
CID 38702160
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-(difluoromethoxy)phenyl]methyl]acetamide
CID 38756441
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
CID 46431425
N-[2-(diethylamino)ethyl]-2-(5-ethyl-2-methyl-1H-indol-3-yl)acetamide
CID 25246473
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 46429632
N-[3-(N-ethylanilino)propyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31956332
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]pentanamide
CID 113085879
N-heptyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
CID 54693782
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 113211952
N-(3-bromophenyl)-2-(5-chloro-2-methyl-1H-indol-3-yl)acetamide
CID 113212058

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-pentylacetamide?
The IUPAC name of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-pentylacetamide (CID 38767316) is 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-pentylacetamide.
What is the SMILES notation for 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-pentylacetamide?
The canonical SMILES for 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-pentylacetamide is CCCCCNC(=O)Cc1c(C)[nH]c2ccc(Br)cc12.
What is the InChIKey of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-pentylacetamide?
The InChIKey is RUYDMLMIXQPWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-3-4-5-8-18-16(20)10-13-11(2)19-15-7-6-12(17)9-14(13)15/h6-7,9,19H,3-5,8,10H2,1-2H3,(H,18,20).
What are the key properties of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-pentylacetamide?
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-pentylacetamide has a molecular weight of 337.26 g/mol, XLogP of 4.09, 6 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-pentylacetamide is sourced from PubChem (CID 38767316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).