2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,4-dimethylpentyl)acetamide

C16H28ClNO — CID 107156893

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,4-dimethylpentyl)acetamide
SMILESCC(C)(C)CC(Cl)CNC(=O)CC1CC2CCC1C2
InChIInChI=1S/C16H28ClNO/c1-16(2,3)9-14(17)10-18-15(19)8-13-7-11-4-5-12(13)6-11/h11-14H,4-10H2,1-3H3,(H,18,19)
InChIKeyMXWIUTQZDURARD-UHFFFAOYSA-N
MW285.86 g/mol
LogP3.97
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,4-dimethylpentyl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,4-dimethylpentyl)acetamide (PubChem CID 107156893) has the molecular formula C16H28ClNO and a molecular weight of 285.86 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,4-dimethylpentyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,4-dimethylpentyl)acetamide
PubChem CID107156893
Molecular FormulaC16H28ClNO
Molecular Weight285.86 g/mol
Exact Mass285.19
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,4-dimethylpentyl)acetamide
SMILESCC(C)(C)CC(Cl)CNC(=O)CC1CC2CCC1C2
InChIInChI=1S/C16H28ClNO/c1-16(2,3)9-14(17)10-18-15(19)8-13-7-11-4-5-12(13)6-11/h11-14H,4-10H2,1-3H3,(H,18,19)
InChIKeyMXWIUTQZDURARD-UHFFFAOYSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 53.97
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-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,4-dimethylpentyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,4-dimethylpentyl)acetamide (CID 107156893) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,4-dimethylpentyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,4-dimethylpentyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,4-dimethylpentyl)acetamide is CC(C)(C)CC(Cl)CNC(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,4-dimethylpentyl)acetamide?
The InChIKey is MXWIUTQZDURARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClNO/c1-16(2,3)9-14(17)10-18-15(19)8-13-7-11-4-5-12(13)6-11/h11-14H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,4-dimethylpentyl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,4-dimethylpentyl)acetamide has a molecular weight of 285.86 g/mol, XLogP of 3.97, 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-(2-chloro-4,4-dimethylpentyl)acetamide is sourced from PubChem (CID 107156893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).