N-[2-(chloromethyl)cyclohexyl]cyclobutanecarboxamide

C12H20ClNO — CID 106366933

IUPACN-[2-(chloromethyl)cyclohexyl]cyclobutanecarboxamide
SMILESO=C(NC1CCCCC1CCl)C1CCC1
InChIInChI=1S/C12H20ClNO/c13-8-10-4-1-2-7-11(10)14-12(15)9-5-3-6-9/h9-11H,1-8H2,(H,14,15)
InChIKeyCTTGHTRUSRWKDD-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.70
Rot. Bonds3

About N-[2-(chloromethyl)cyclohexyl]cyclobutanecarboxamide

N-[2-(chloromethyl)cyclohexyl]cyclobutanecarboxamide (PubChem CID 106366933) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]cyclobutanecarboxamide
PubChem CID106366933
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC NameN-[2-(chloromethyl)cyclohexyl]cyclobutanecarboxamide
SMILESO=C(NC1CCCCC1CCl)C1CCC1
InChIInChI=1S/C12H20ClNO/c13-8-10-4-1-2-7-11(10)14-12(15)9-5-3-6-9/h9-11H,1-8H2,(H,14,15)
InChIKeyCTTGHTRUSRWKDD-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.70
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-(chloromethyl)cyclopentyl]cycloheptanecarboxamide
CID 106366097
N-[2-(chloromethyl)cyclopentyl]oxane-3-carboxamide
CID 106365863
N-[2-(chloromethyl)cyclohexyl]oxolane-3-carboxamide
CID 106366913
N-[2-(hydroxymethyl)cyclohexyl]cyclooctanecarboxamide
CID 103860474
N-[2-(chloromethyl)cyclopentyl]-2-methylcyclopropane-1-carboxamide
CID 106366126
N-[2-(cyclooctanecarbonylamino)cyclohexyl]cyclooctanecarboxamide
CID 171722262
N-(2-aminocyclopentyl)cyclopentanecarboxamide
CID 63251373
N-[2-(chloromethyl)cyclopentyl]-2-cyclopropylacetamide
CID 106365797
N-[2-(chloromethyl)cyclohexyl]-2-methylpropanamide
CID 106366671
N-[2-(chloromethyl)cyclohexyl]-2-cyclopentylacetamide
CID 106366838
N-[2-(chloromethyl)cyclopentyl]butanamide
CID 106365880
N-[2-(chloromethyl)cyclopentyl]-2-methyloxolane-3-carboxamide
CID 106365998

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]cyclobutanecarboxamide (CID 106366933) is N-[2-(chloromethyl)cyclohexyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]cyclobutanecarboxamide is O=C(NC1CCCCC1CCl)C1CCC1.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]cyclobutanecarboxamide?
The InChIKey is CTTGHTRUSRWKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO/c13-8-10-4-1-2-7-11(10)14-12(15)9-5-3-6-9/h9-11H,1-8H2,(H,14,15).
What are the key properties of N-[2-(chloromethyl)cyclohexyl]cyclobutanecarboxamide?
N-[2-(chloromethyl)cyclohexyl]cyclobutanecarboxamide has a molecular weight of 229.75 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclohexyl]cyclobutanecarboxamide is sourced from PubChem (CID 106366933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).