2-chloro-N-(3-propan-2-yl-1-adamantyl)acetamide

C15H24ClNO — CID 15313641

IUPAC2-chloro-N-(3-propan-2-yl-1-adamantyl)acetamide
SMILESCC(C)C12CC3CC(CC(NC(=O)CCl)(C3)C1)C2
InChIInChI=1S/C15H24ClNO/c1-10(2)14-4-11-3-12(5-14)7-15(6-11,9-14)17-13(18)8-16/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyZMCDFXHKPIFKHW-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.34
Rot. Bonds3

About 2-chloro-N-(3-propan-2-yl-1-adamantyl)acetamide

2-chloro-N-(3-propan-2-yl-1-adamantyl)acetamide (PubChem CID 15313641) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-chloro-N-(3-propan-2-yl-1-adamantyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-propan-2-yl-1-adamantyl)acetamide
PubChem CID15313641
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-chloro-N-(3-propan-2-yl-1-adamantyl)acetamide
SMILESCC(C)C12CC3CC(CC(NC(=O)CCl)(C3)C1)C2
InChIInChI=1S/C15H24ClNO/c1-10(2)14-4-11-3-12(5-14)7-15(6-11,9-14)17-13(18)8-16/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyZMCDFXHKPIFKHW-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.34
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-(3-propan-2-yl-1-adamantyl)acetamide?
The IUPAC name of 2-chloro-N-(3-propan-2-yl-1-adamantyl)acetamide (CID 15313641) is 2-chloro-N-(3-propan-2-yl-1-adamantyl)acetamide.
What is the SMILES notation for 2-chloro-N-(3-propan-2-yl-1-adamantyl)acetamide?
The canonical SMILES for 2-chloro-N-(3-propan-2-yl-1-adamantyl)acetamide is CC(C)C12CC3CC(CC(NC(=O)CCl)(C3)C1)C2.
What is the InChIKey of 2-chloro-N-(3-propan-2-yl-1-adamantyl)acetamide?
The InChIKey is ZMCDFXHKPIFKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-10(2)14-4-11-3-12(5-14)7-15(6-11,9-14)17-13(18)8-16/h10-12H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-chloro-N-(3-propan-2-yl-1-adamantyl)acetamide?
2-chloro-N-(3-propan-2-yl-1-adamantyl)acetamide has a molecular weight of 269.82 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-propan-2-yl-1-adamantyl)acetamide is sourced from PubChem (CID 15313641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).