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

C13H22ClNO2 — CID 106300635

IUPACN-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)NC1(CCl)CCOCC1
InChIInChI=1S/C13H22ClNO2/c1-10-3-2-4-11(10)12(16)15-13(9-14)5-7-17-8-6-13/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyHNWDQTGUHZGZPU-UHFFFAOYSA-N
MW259.78 g/mol
LogP2.33
Rot. Bonds3

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

N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide (PubChem CID 106300635) has the molecular formula C13H22ClNO2 and a molecular weight of 259.78 g/mol. Its IUPAC name is N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide
PubChem CID106300635
Molecular FormulaC13H22ClNO2
Molecular Weight259.78 g/mol
Exact Mass259.13
IUPAC NameN-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)NC1(CCl)CCOCC1
InChIInChI=1S/C13H22ClNO2/c1-10-3-2-4-11(10)12(16)15-13(9-14)5-7-17-8-6-13/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyHNWDQTGUHZGZPU-UHFFFAOYSA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide
CID 106297417
N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopropane-1-carboxamide
CID 106300320
N-[4-(chloromethyl)oxan-4-yl]cyclooctanecarboxamide
CID 114170539
N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methyloxane-4-carboxamide
CID 114241726
N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylcyclopentane-1-carboxamide
CID 114170496
2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 106296956
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylcyclopentane-1-carboxamide
CID 107184243
N-[4-(chloromethyl)oxan-4-yl]thiolane-3-carboxamide
CID 106300810
N-[4-(chloromethyl)oxan-4-yl]-3-cyclohexylpropanamide
CID 106300473
1-[(2-methylcyclopentanecarbonyl)amino]cyclopropane-1-carboxylic acid
CID 107175622
N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylpropanamide
CID 106300401
tert-butyl N-[4-(chloromethyl)oxan-4-yl]carbamate
CID 106300353

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide (CID 106300635) is N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide is CC1CCCC1C(=O)NC1(CCl)CCOCC1.
What is the InChIKey of N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide?
The InChIKey is HNWDQTGUHZGZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO2/c1-10-3-2-4-11(10)12(16)15-13(9-14)5-7-17-8-6-13/h10-11H,2-9H2,1H3,(H,15,16).
What are the key properties of N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide?
N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide has a molecular weight of 259.78 g/mol, XLogP of 2.33, 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-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 106300635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).