2-(2-bicyclo[2.2.1]heptanyl)-N-(3-chloropropyl)acetamide

C12H20ClNO — CID 43133485

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(3-chloropropyl)acetamide
SMILESO=C(CC1CC2CCC1C2)NCCCCl
InChIInChI=1S/C12H20ClNO/c13-4-1-5-14-12(15)8-11-7-9-2-3-10(11)6-9/h9-11H,1-8H2,(H,14,15)
InChIKeyHJCQPZLNUFOTLE-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.56
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-chloropropyl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(3-chloropropyl)acetamide (PubChem CID 43133485) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-chloropropyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(3-chloropropyl)acetamide
PubChem CID43133485
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(3-chloropropyl)acetamide
SMILESO=C(CC1CC2CCC1C2)NCCCCl
InChIInChI=1S/C12H20ClNO/c13-4-1-5-14-12(15)8-11-7-9-2-3-10(11)6-9/h9-11H,1-8H2,(H,14,15)
InChIKeyHJCQPZLNUFOTLE-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-chloropropyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-chloropropyl)acetamide (CID 43133485) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-chloropropyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-chloropropyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-chloropropyl)acetamide is O=C(CC1CC2CCC1C2)NCCCCl.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-chloropropyl)acetamide?
The InChIKey is HJCQPZLNUFOTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO/c13-4-1-5-14-12(15)8-11-7-9-2-3-10(11)6-9/h9-11H,1-8H2,(H,14,15).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-chloropropyl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-chloropropyl)acetamide has a molecular weight of 229.75 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-chloropropyl)acetamide is sourced from PubChem (CID 43133485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).