N-[2-(bromomethyl)cyclopentyl]-2-cyclopentylacetamide

C13H22BrNO — CID 106366407

IUPACN-[2-(bromomethyl)cyclopentyl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)NC1CCCC1CBr
InChIInChI=1S/C13H22BrNO/c14-9-11-6-3-7-12(11)15-13(16)8-10-4-1-2-5-10/h10-12H,1-9H2,(H,15,16)
InChIKeyAGIRXKPNLUXIHN-UHFFFAOYSA-N
MW288.23 g/mol
LogP3.25
Rot. Bonds4

About N-[2-(bromomethyl)cyclopentyl]-2-cyclopentylacetamide

N-[2-(bromomethyl)cyclopentyl]-2-cyclopentylacetamide (PubChem CID 106366407) has the molecular formula C13H22BrNO and a molecular weight of 288.23 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-2-cyclopentylacetamide
PubChem CID106366407
Molecular FormulaC13H22BrNO
Molecular Weight288.23 g/mol
Exact Mass287.09
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)NC1CCCC1CBr
InChIInChI=1S/C13H22BrNO/c14-9-11-6-3-7-12(11)15-13(16)8-10-4-1-2-5-10/h10-12H,1-9H2,(H,15,16)
InChIKeyAGIRXKPNLUXIHN-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 53.25
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

2-cyclohexyl-N-[2-(hydroxymethyl)cyclopentyl]acetamide
CID 103751275
N-[2-(chloromethyl)cyclohexyl]-2-cyclopentylacetamide
CID 106366838
N-[2-(chloromethyl)cyclopentyl]-2-cyclopropylacetamide
CID 106365797
N-(2-aminocyclopentyl)-2-cyclohexylacetamide
CID 63251405
N-(2-bromocyclopentyl)-2-cycloheptylacetamide
CID 114458260
N-(2-bromocyclopentyl)-2-cyclobutylacetamide
CID 103164390
N-(2-aminocyclopropyl)-2-cyclopentylacetamide
CID 60775753
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-cyclobutylacetamide
CID 103166815
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-cyclopentylacetamide
CID 114317429
N-[2-(bromomethyl)cyclohexyl]pentanamide
CID 106367298
N-(2-bromocyclopentyl)-2-cyclopropylacetamide
CID 80662940
2-cyclopentyl-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide
CID 110125825

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2-cyclopentylacetamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2-cyclopentylacetamide (CID 106366407) is N-[2-(bromomethyl)cyclopentyl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-2-cyclopentylacetamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-2-cyclopentylacetamide is O=C(CC1CCCC1)NC1CCCC1CBr.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-2-cyclopentylacetamide?
The InChIKey is AGIRXKPNLUXIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO/c14-9-11-6-3-7-12(11)15-13(16)8-10-4-1-2-5-10/h10-12H,1-9H2,(H,15,16).
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-2-cyclopentylacetamide?
N-[2-(bromomethyl)cyclopentyl]-2-cyclopentylacetamide has a molecular weight of 288.23 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]-2-cyclopentylacetamide is sourced from PubChem (CID 106366407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).