N-(2-chlorocyclopentyl)dodecanamide

C17H32ClNO — CID 106444076

IUPACN-(2-chlorocyclopentyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NC1CCCC1Cl
InChIInChI=1S/C17H32ClNO/c1-2-3-4-5-6-7-8-9-10-14-17(20)19-16-13-11-12-15(16)18/h15-16H,2-14H2,1H3,(H,19,20)
InChIKeyPCMKLOZKMYHLSV-UHFFFAOYSA-N
MW301.90 g/mol
LogP5.18
Rot. Bonds11

About N-(2-chlorocyclopentyl)dodecanamide

N-(2-chlorocyclopentyl)dodecanamide (PubChem CID 106444076) has the molecular formula C17H32ClNO and a molecular weight of 301.90 g/mol. Its IUPAC name is N-(2-chlorocyclopentyl)dodecanamide.

Molecular Properties

Compound NameN-(2-chlorocyclopentyl)dodecanamide
PubChem CID106444076
Molecular FormulaC17H32ClNO
Molecular Weight301.90 g/mol
Exact Mass301.22
IUPAC NameN-(2-chlorocyclopentyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NC1CCCC1Cl
InChIInChI=1S/C17H32ClNO/c1-2-3-4-5-6-7-8-9-10-14-17(20)19-16-13-11-12-15(16)18/h15-16H,2-14H2,1H3,(H,19,20)
InChIKeyPCMKLOZKMYHLSV-UHFFFAOYSA-N
XLogP5.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.90
LogP ≤ 55.18
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 N-(2-chlorocyclopentyl)dodecanamide?
The IUPAC name of N-(2-chlorocyclopentyl)dodecanamide (CID 106444076) is N-(2-chlorocyclopentyl)dodecanamide.
What is the SMILES notation for N-(2-chlorocyclopentyl)dodecanamide?
The canonical SMILES for N-(2-chlorocyclopentyl)dodecanamide is CCCCCCCCCCCC(=O)NC1CCCC1Cl.
What is the InChIKey of N-(2-chlorocyclopentyl)dodecanamide?
The InChIKey is PCMKLOZKMYHLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32ClNO/c1-2-3-4-5-6-7-8-9-10-14-17(20)19-16-13-11-12-15(16)18/h15-16H,2-14H2,1H3,(H,19,20).
What are the key properties of N-(2-chlorocyclopentyl)dodecanamide?
N-(2-chlorocyclopentyl)dodecanamide has a molecular weight of 301.90 g/mol, XLogP of 5.18, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclopentyl)dodecanamide is sourced from PubChem (CID 106444076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).