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

C12H18ClNO2 — CID 71717678

IUPAC2-(3-chloro-1-adamantyl)-N-hydroxyacetamide
SMILESO=C(CC12CC3CC(CC(Cl)(C3)C1)C2)NO
InChIInChI=1S/C12H18ClNO2/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)
InChIKeyXCEXDHZVHYDBFQ-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.46
Rot. Bonds2

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

2-(3-chloro-1-adamantyl)-N-hydroxyacetamide (PubChem CID 71717678) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-(3-chloro-1-adamantyl)-N-hydroxyacetamide.

Molecular Properties

Compound Name2-(3-chloro-1-adamantyl)-N-hydroxyacetamide
PubChem CID71717678
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-(3-chloro-1-adamantyl)-N-hydroxyacetamide
SMILESO=C(CC12CC3CC(CC(Cl)(C3)C1)C2)NO
InChIInChI=1S/C12H18ClNO2/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)
InChIKeyXCEXDHZVHYDBFQ-UHFFFAOYSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.46
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'}

Analyze 2-(3-chloro-1-adamantyl)-N-hydroxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-1-adamantyl)-N-hydroxyacetamide?
The IUPAC name of 2-(3-chloro-1-adamantyl)-N-hydroxyacetamide (CID 71717678) is 2-(3-chloro-1-adamantyl)-N-hydroxyacetamide.
What is the SMILES notation for 2-(3-chloro-1-adamantyl)-N-hydroxyacetamide?
The canonical SMILES for 2-(3-chloro-1-adamantyl)-N-hydroxyacetamide is O=C(CC12CC3CC(CC(Cl)(C3)C1)C2)NO.
What is the InChIKey of 2-(3-chloro-1-adamantyl)-N-hydroxyacetamide?
The InChIKey is XCEXDHZVHYDBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/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-chloro-1-adamantyl)-N-hydroxyacetamide?
2-(3-chloro-1-adamantyl)-N-hydroxyacetamide has a molecular weight of 243.73 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-1-adamantyl)-N-hydroxyacetamide is sourced from PubChem (CID 71717678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).