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

C10H9BrN2O2 — CID 11572551

IUPAC2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide
SMILESO=C(Cc1c[nH]c2ccc(Br)cc12)NO
InChIInChI=1S/C10H9BrN2O2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(14)13-15/h1-2,4-5,12,15H,3H2,(H,13,14)
InChIKeyZDQORGWUODGWFT-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.98
Rot. Bonds2

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

2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide (PubChem CID 11572551) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide.

Molecular Properties

Compound Name2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide
PubChem CID11572551
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide
SMILESO=C(Cc1c[nH]c2ccc(Br)cc12)NO
InChIInChI=1S/C10H9BrN2O2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(14)13-15/h1-2,4-5,12,15H,3H2,(H,13,14)
InChIKeyZDQORGWUODGWFT-UHFFFAOYSA-N
XLogP1.98
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide?
The IUPAC name of 2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide (CID 11572551) is 2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide.
What is the SMILES notation for 2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide?
The canonical SMILES for 2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide is O=C(Cc1c[nH]c2ccc(Br)cc12)NO.
What is the InChIKey of 2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide?
The InChIKey is ZDQORGWUODGWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(14)13-15/h1-2,4-5,12,15H,3H2,(H,13,14).
What are the key properties of 2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide?
2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide has a molecular weight of 269.10 g/mol, XLogP of 1.98, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide is sourced from PubChem (CID 11572551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).