N-(2-chlorocyclohexyl)-N,1-dimethylcyclopentane-1-carboxamide

C14H24ClNO — CID 102638062

IUPACN-(2-chlorocyclohexyl)-N,1-dimethylcyclopentane-1-carboxamide
SMILESCN(C(=O)C1(C)CCCC1)C1CCCCC1Cl
InChIInChI=1S/C14H24ClNO/c1-14(9-5-6-10-14)13(17)16(2)12-8-4-3-7-11(12)15/h11-12H,3-10H2,1-2H3
InChIKeyZDOPKLICPZRHTH-UHFFFAOYSA-N
MW257.80 g/mol
LogP3.58
Rot. Bonds2

About N-(2-chlorocyclohexyl)-N,1-dimethylcyclopentane-1-carboxamide

N-(2-chlorocyclohexyl)-N,1-dimethylcyclopentane-1-carboxamide (PubChem CID 102638062) has the molecular formula C14H24ClNO and a molecular weight of 257.80 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-N,1-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-N,1-dimethylcyclopentane-1-carboxamide
PubChem CID102638062
Molecular FormulaC14H24ClNO
Molecular Weight257.80 g/mol
Exact Mass257.15
IUPAC NameN-(2-chlorocyclohexyl)-N,1-dimethylcyclopentane-1-carboxamide
SMILESCN(C(=O)C1(C)CCCC1)C1CCCCC1Cl
InChIInChI=1S/C14H24ClNO/c1-14(9-5-6-10-14)13(17)16(2)12-8-4-3-7-11(12)15/h11-12H,3-10H2,1-2H3
InChIKeyZDOPKLICPZRHTH-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 53.58
H-Bond Donors ≤ 50
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 N-(2-chlorocyclohexyl)-N,1-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-chlorocyclohexyl)-N,1-dimethylcyclopentane-1-carboxamide (CID 102638062) is N-(2-chlorocyclohexyl)-N,1-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-N,1-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-N,1-dimethylcyclopentane-1-carboxamide is CN(C(=O)C1(C)CCCC1)C1CCCCC1Cl.
What is the InChIKey of N-(2-chlorocyclohexyl)-N,1-dimethylcyclopentane-1-carboxamide?
The InChIKey is ZDOPKLICPZRHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO/c1-14(9-5-6-10-14)13(17)16(2)12-8-4-3-7-11(12)15/h11-12H,3-10H2,1-2H3.
What are the key properties of N-(2-chlorocyclohexyl)-N,1-dimethylcyclopentane-1-carboxamide?
N-(2-chlorocyclohexyl)-N,1-dimethylcyclopentane-1-carboxamide has a molecular weight of 257.80 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-N,1-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 102638062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).