2-chloro-N-(3,5-dimethyl-1-adamantyl)acetamide

C14H22ClNO — CID 24739909

IUPAC2-chloro-N-(3,5-dimethyl-1-adamantyl)acetamide
SMILESCC12CC3CC(C)(C1)CC(NC(=O)CCl)(C3)C2
InChIInChI=1S/C14H22ClNO/c1-12-3-10-4-13(2,7-12)9-14(5-10,8-12)16-11(17)6-15/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyKGVLSQFCBARNBE-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.09
Rot. Bonds2

About 2-chloro-N-(3,5-dimethyl-1-adamantyl)acetamide

2-chloro-N-(3,5-dimethyl-1-adamantyl)acetamide (PubChem CID 24739909) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dimethyl-1-adamantyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dimethyl-1-adamantyl)acetamide
PubChem CID24739909
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name2-chloro-N-(3,5-dimethyl-1-adamantyl)acetamide
SMILESCC12CC3CC(C)(C1)CC(NC(=O)CCl)(C3)C2
InChIInChI=1S/C14H22ClNO/c1-12-3-10-4-13(2,7-12)9-14(5-10,8-12)16-11(17)6-15/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyKGVLSQFCBARNBE-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(3,5-dimethyl-1-adamantyl)acetamide 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-chloro-N-(3,5-dimethyl-1-adamantyl)acetamide?
The IUPAC name of 2-chloro-N-(3,5-dimethyl-1-adamantyl)acetamide (CID 24739909) is 2-chloro-N-(3,5-dimethyl-1-adamantyl)acetamide.
What is the SMILES notation for 2-chloro-N-(3,5-dimethyl-1-adamantyl)acetamide?
The canonical SMILES for 2-chloro-N-(3,5-dimethyl-1-adamantyl)acetamide is CC12CC3CC(C)(C1)CC(NC(=O)CCl)(C3)C2.
What is the InChIKey of 2-chloro-N-(3,5-dimethyl-1-adamantyl)acetamide?
The InChIKey is KGVLSQFCBARNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-12-3-10-4-13(2,7-12)9-14(5-10,8-12)16-11(17)6-15/h10H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-chloro-N-(3,5-dimethyl-1-adamantyl)acetamide?
2-chloro-N-(3,5-dimethyl-1-adamantyl)acetamide has a molecular weight of 255.79 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dimethyl-1-adamantyl)acetamide is sourced from PubChem (CID 24739909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).