N-[[2-(bromomethyl)cyclopentyl]methyl]-2-cyclobutylacetamide

C13H22BrNO — CID 103166815

IUPACN-[[2-(bromomethyl)cyclopentyl]methyl]-2-cyclobutylacetamide
SMILESO=C(CC1CCC1)NCC1CCCC1CBr
InChIInChI=1S/C13H22BrNO/c14-8-11-5-2-6-12(11)9-15-13(16)7-10-3-1-4-10/h10-12H,1-9H2,(H,15,16)
InChIKeyLEFGEEIGYGZCKH-UHFFFAOYSA-N
MW288.23 g/mol
LogP3.10
Rot. Bonds5

About N-[[2-(bromomethyl)cyclopentyl]methyl]-2-cyclobutylacetamide

N-[[2-(bromomethyl)cyclopentyl]methyl]-2-cyclobutylacetamide (PubChem CID 103166815) has the molecular formula C13H22BrNO and a molecular weight of 288.23 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclopentyl]methyl]-2-cyclobutylacetamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclopentyl]methyl]-2-cyclobutylacetamide
PubChem CID103166815
Molecular FormulaC13H22BrNO
Molecular Weight288.23 g/mol
Exact Mass287.09
IUPAC NameN-[[2-(bromomethyl)cyclopentyl]methyl]-2-cyclobutylacetamide
SMILESO=C(CC1CCC1)NCC1CCCC1CBr
InChIInChI=1S/C13H22BrNO/c14-8-11-5-2-6-12(11)9-15-13(16)7-10-3-1-4-10/h10-12H,1-9H2,(H,15,16)
InChIKeyLEFGEEIGYGZCKH-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 53.10
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-(bromomethyl)cyclohexyl]methyl]-2-cyclopentylacetamide
CID 114317429
N-[(2-aminocyclohexyl)methyl]-2-cyclobutylacetamide
CID 103166988
N-[(2-bromocyclohexyl)methyl]-2-cyclopentylacetamide
CID 114312260
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylsulfanylpropanamide
CID 114317161
N-[(2-chlorocyclohexyl)methyl]-2-cycloheptylacetamide
CID 114459062
N-[[2-(bromomethyl)cyclohexyl]methyl]butanamide
CID 114317286
N-[2-(bromomethyl)cyclopentyl]-2-cyclopentylacetamide
CID 106366407
N-(3-bromopropyl)-2-cyclobutylacetamide
CID 103164386
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(thian-4-yl)acetamide
CID 83135748
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-ethylbutanamide
CID 114317113
N-(5-bromopentyl)-2-cyclobutylacetamide
CID 107322053
2-(azetidin-3-yl)-N-[(2-methylcyclopentyl)methyl]acetamide
CID 107418381

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-2-cyclobutylacetamide?
The IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-2-cyclobutylacetamide (CID 103166815) is N-[[2-(bromomethyl)cyclopentyl]methyl]-2-cyclobutylacetamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclopentyl]methyl]-2-cyclobutylacetamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclopentyl]methyl]-2-cyclobutylacetamide is O=C(CC1CCC1)NCC1CCCC1CBr.
What is the InChIKey of N-[[2-(bromomethyl)cyclopentyl]methyl]-2-cyclobutylacetamide?
The InChIKey is LEFGEEIGYGZCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO/c14-8-11-5-2-6-12(11)9-15-13(16)7-10-3-1-4-10/h10-12H,1-9H2,(H,15,16).
What are the key properties of N-[[2-(bromomethyl)cyclopentyl]methyl]-2-cyclobutylacetamide?
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-cyclobutylacetamide has a molecular weight of 288.23 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclopentyl]methyl]-2-cyclobutylacetamide is sourced from PubChem (CID 103166815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).