2-(3-bromo-1-adamantyl)-N-hydroxyacetamide

C12H18BrNO2 — CID 71718891

IUPAC2-(3-bromo-1-adamantyl)-N-hydroxyacetamide
SMILESO=C(CC12CC3CC(CC(Br)(C3)C1)C2)NO
InChIInChI=1S/C12H18BrNO2/c13-12-4-8-1-9(5-12)3-11(2-8,7-12)6-10(15)14-16/h8-9,16H,1-7H2,(H,14,15)
InChIKeyFUICZVPFTXZJDV-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.62
Rot. Bonds2

About 2-(3-bromo-1-adamantyl)-N-hydroxyacetamide

2-(3-bromo-1-adamantyl)-N-hydroxyacetamide (PubChem CID 71718891) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-(3-bromo-1-adamantyl)-N-hydroxyacetamide.

Molecular Properties

Compound Name2-(3-bromo-1-adamantyl)-N-hydroxyacetamide
PubChem CID71718891
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name2-(3-bromo-1-adamantyl)-N-hydroxyacetamide
SMILESO=C(CC12CC3CC(CC(Br)(C3)C1)C2)NO
InChIInChI=1S/C12H18BrNO2/c13-12-4-8-1-9(5-12)3-11(2-8,7-12)6-10(15)14-16/h8-9,16H,1-7H2,(H,14,15)
InChIKeyFUICZVPFTXZJDV-UHFFFAOYSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-(3-bromo-1-adamantyl)-N-hydroxyacetamide?
The IUPAC name of 2-(3-bromo-1-adamantyl)-N-hydroxyacetamide (CID 71718891) is 2-(3-bromo-1-adamantyl)-N-hydroxyacetamide.
What is the SMILES notation for 2-(3-bromo-1-adamantyl)-N-hydroxyacetamide?
The canonical SMILES for 2-(3-bromo-1-adamantyl)-N-hydroxyacetamide is O=C(CC12CC3CC(CC(Br)(C3)C1)C2)NO.
What is the InChIKey of 2-(3-bromo-1-adamantyl)-N-hydroxyacetamide?
The InChIKey is FUICZVPFTXZJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c13-12-4-8-1-9(5-12)3-11(2-8,7-12)6-10(15)14-16/h8-9,16H,1-7H2,(H,14,15).
What are the key properties of 2-(3-bromo-1-adamantyl)-N-hydroxyacetamide?
2-(3-bromo-1-adamantyl)-N-hydroxyacetamide has a molecular weight of 288.19 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1-adamantyl)-N-hydroxyacetamide is sourced from PubChem (CID 71718891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).