N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide

C12H13BrN2O2 — CID 63679851

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
SMILESCC(=O)N1CCc2cc(NC(=O)CBr)ccc21
InChIInChI=1S/C12H13BrN2O2/c1-8(16)15-5-4-9-6-10(2-3-11(9)15)14-12(17)7-13/h2-3,6H,4-5,7H2,1H3,(H,14,17)
InChIKeyZACYFXHYAVGUTR-UHFFFAOYSA-N
MW297.15 g/mol
LogP1.93
Rot. Bonds2

About N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide (PubChem CID 63679851) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
PubChem CID63679851
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
SMILESCC(=O)N1CCc2cc(NC(=O)CBr)ccc21
InChIInChI=1S/C12H13BrN2O2/c1-8(16)15-5-4-9-6-10(2-3-11(9)15)14-12(17)7-13/h2-3,6H,4-5,7H2,1H3,(H,14,17)
InChIKeyZACYFXHYAVGUTR-UHFFFAOYSA-N
XLogP1.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide
CID 103606736
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide
CID 29288915
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
CID 119271758
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119690426
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2,6-dimethylanilino)acetamide
CID 30706791
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-2-(methylamino)propanamide
CID 62836406
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide
CID 43346617
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 25499636

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide (CID 63679851) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide is CC(=O)N1CCc2cc(NC(=O)CBr)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide?
The InChIKey is ZACYFXHYAVGUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-8(16)15-5-4-9-6-10(2-3-11(9)15)14-12(17)7-13/h2-3,6H,4-5,7H2,1H3,(H,14,17).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide has a molecular weight of 297.15 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide is sourced from PubChem (CID 63679851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).