chempirical

5-Bromo-1H-indole-3-acetamide

C10H9BrN2OCAS 196081-79-5253.10 g/mol

Open in Covalent MOL file
NH2ONHBr
Aryl halide

Properties

Molecular formula
C10H9BrN2O
Molar mass
253.10 g/mol
Exact mass
251.9898 Da
logP
3.01Crippen estimate
Polar surface area
59.9 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
2

Identifiers

CAS number
196081-79-5
SMILES
N=C(O)Cc1c[nH]c2ccc(Br)cc12
InChIKey
DVPBWLLOGOINDW-UHFFFAOYSA-N
InChI
InChI=1S/C10H9BrN2O/c11-7-1-2-9-8(4-7)6(5-13-9)3-10(12)14/h1-2,4-5,13H,3H2,(H2,12,14)

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Names and synonyms

3 names
  • 1H-Indole-3-acetamide, 5-bromo-
  • NSC 88146
  • 2-(5-Bromo-1H-indol-3-yl)acetamide

Work with 5-Bromo-1H-indole-3-acetamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(5-Bromo-1H-indol-3-yl)acetic acid40432-84-667 % similar Indole-3-acetamide879-37-863 % similar 5-Bromo-1H-indole-3-ethanol32774-29-159 % similar 5-Bromo-1H-indole-3-butanoic acid13993-31-255 % similar 5-Bromo-dl-tryptophan6548-09-052 % similar 5-Bromo-1H-indole-3-carboxylic acid10406-06-150 % similar 5-Hydroxyindoleacetic acid1321-73-947 % similar 5-Hydroxyindoleacetic acid54-16-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

6-Bromomethyl-3,4-dihydro-2-methyl-quinazolin-4-one112888-43-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook