2-chloro-N-(4-methyl-1-adamantyl)acetamide

C13H20ClNO — CID 134204407

IUPAC2-chloro-N-(4-methyl-1-adamantyl)acetamide
SMILESCC1C2CC3CC1CC(NC(=O)CCl)(C3)C2
InChIInChI=1S/C13H20ClNO/c1-8-10-2-9-3-11(8)6-13(4-9,5-10)15-12(16)7-14/h8-11H,2-7H2,1H3,(H,15,16)
InChIKeyHGOKGNXOZXABKZ-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.56
Rot. Bonds2

About 2-chloro-N-(4-methyl-1-adamantyl)acetamide

2-chloro-N-(4-methyl-1-adamantyl)acetamide (PubChem CID 134204407) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-chloro-N-(4-methyl-1-adamantyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-methyl-1-adamantyl)acetamide
PubChem CID134204407
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-chloro-N-(4-methyl-1-adamantyl)acetamide
SMILESCC1C2CC3CC1CC(NC(=O)CCl)(C3)C2
InChIInChI=1S/C13H20ClNO/c1-8-10-2-9-3-11(8)6-13(4-9,5-10)15-12(16)7-14/h8-11H,2-7H2,1H3,(H,15,16)
InChIKeyHGOKGNXOZXABKZ-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methyl-1-adamantyl)acetamide?
The IUPAC name of 2-chloro-N-(4-methyl-1-adamantyl)acetamide (CID 134204407) is 2-chloro-N-(4-methyl-1-adamantyl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-methyl-1-adamantyl)acetamide?
The canonical SMILES for 2-chloro-N-(4-methyl-1-adamantyl)acetamide is CC1C2CC3CC1CC(NC(=O)CCl)(C3)C2.
What is the InChIKey of 2-chloro-N-(4-methyl-1-adamantyl)acetamide?
The InChIKey is HGOKGNXOZXABKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-8-10-2-9-3-11(8)6-13(4-9,5-10)15-12(16)7-14/h8-11H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-chloro-N-(4-methyl-1-adamantyl)acetamide?
2-chloro-N-(4-methyl-1-adamantyl)acetamide has a molecular weight of 241.76 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methyl-1-adamantyl)acetamide is sourced from PubChem (CID 134204407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).