N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylcyclopentane-1-carboxamide

C14H24ClNO2 — CID 114170496

IUPACN-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)NC1(CCl)CCOCC1
InChIInChI=1S/C14H24ClNO2/c1-13(2)5-3-4-11(13)12(17)16-14(10-15)6-8-18-9-7-14/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyJJOSOURMIGFVOI-UHFFFAOYSA-N
MW273.80 g/mol
LogP2.72
Rot. Bonds3

About N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylcyclopentane-1-carboxamide

N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 114170496) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID114170496
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC NameN-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)NC1(CCl)CCOCC1
InChIInChI=1S/C14H24ClNO2/c1-13(2)5-3-4-11(13)12(17)16-14(10-15)6-8-18-9-7-14/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyJJOSOURMIGFVOI-UHFFFAOYSA-N
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.80
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylcyclopentane-1-carboxamide (CID 114170496) is N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylcyclopentane-1-carboxamide is CC1(C)CCCC1C(=O)NC1(CCl)CCOCC1.
What is the InChIKey of N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is JJOSOURMIGFVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO2/c1-13(2)5-3-4-11(13)12(17)16-14(10-15)6-8-18-9-7-14/h11H,3-10H2,1-2H3,(H,16,17).
What are the key properties of N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylcyclopentane-1-carboxamide?
N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 273.80 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 114170496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).