N-[(2-chlorocyclohexyl)methyl]cyclopentanecarboxamide

C13H22ClNO — CID 114301412

IUPACN-[(2-chlorocyclohexyl)methyl]cyclopentanecarboxamide
SMILESO=C(NCC1CCCCC1Cl)C1CCCC1
InChIInChI=1S/C13H22ClNO/c14-12-8-4-3-7-11(12)9-15-13(16)10-5-1-2-6-10/h10-12H,1-9H2,(H,15,16)
InChIKeyCXFGPGCTNANYAD-UHFFFAOYSA-N
MW243.78 g/mol
LogP3.09
Rot. Bonds3

About N-[(2-chlorocyclohexyl)methyl]cyclopentanecarboxamide

N-[(2-chlorocyclohexyl)methyl]cyclopentanecarboxamide (PubChem CID 114301412) has the molecular formula C13H22ClNO and a molecular weight of 243.78 g/mol. Its IUPAC name is N-[(2-chlorocyclohexyl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2-chlorocyclohexyl)methyl]cyclopentanecarboxamide
PubChem CID114301412
Molecular FormulaC13H22ClNO
Molecular Weight243.78 g/mol
Exact Mass243.14
IUPAC NameN-[(2-chlorocyclohexyl)methyl]cyclopentanecarboxamide
SMILESO=C(NCC1CCCCC1Cl)C1CCCC1
InChIInChI=1S/C13H22ClNO/c14-12-8-4-3-7-11(12)9-15-13(16)10-5-1-2-6-10/h10-12H,1-9H2,(H,15,16)
InChIKeyCXFGPGCTNANYAD-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorocyclohexyl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 113272694
N-[[2-(chloromethyl)cyclohexyl]methyl]cycloheptanecarboxamide
CID 113273901
N-[(2-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 64928899
N-[(2-chlorocyclopentyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003247
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]cyclohexanecarboxamide
CID 71277091
N-[(2-chlorocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 113272704
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839
N-[(2-chlorocyclohexyl)methyl]-2-cycloheptylacetamide
CID 114459062
N-[(2-chlorocyclohexyl)methyl]-1,4-dioxane-2-carboxamide
CID 114301649
N-[(2-chlorocyclopentyl)methyl]thiolane-2-carboxamide
CID 114303282
N-[(2-chlorocyclohexyl)methyl]-2-propoxyacetamide
CID 107941165
4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673772

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclohexyl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(2-chlorocyclohexyl)methyl]cyclopentanecarboxamide (CID 114301412) is N-[(2-chlorocyclohexyl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2-chlorocyclohexyl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2-chlorocyclohexyl)methyl]cyclopentanecarboxamide is O=C(NCC1CCCCC1Cl)C1CCCC1.
What is the InChIKey of N-[(2-chlorocyclohexyl)methyl]cyclopentanecarboxamide?
The InChIKey is CXFGPGCTNANYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO/c14-12-8-4-3-7-11(12)9-15-13(16)10-5-1-2-6-10/h10-12H,1-9H2,(H,15,16).
What are the key properties of N-[(2-chlorocyclohexyl)methyl]cyclopentanecarboxamide?
N-[(2-chlorocyclohexyl)methyl]cyclopentanecarboxamide has a molecular weight of 243.78 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclohexyl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 114301412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).