2-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromocyclopentyl)methyl]acetamide

C15H24BrNO — CID 106129003

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromocyclopentyl)methyl]acetamide
SMILESO=C(CC1CC2CCC1C2)NCC1CCC(Br)C1
InChIInChI=1S/C15H24BrNO/c16-14-4-2-11(7-14)9-17-15(18)8-13-6-10-1-3-12(13)5-10/h10-14H,1-9H2,(H,17,18)
InChIKeyVYYHJUFODZIMQP-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.49
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromocyclopentyl)methyl]acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromocyclopentyl)methyl]acetamide (PubChem CID 106129003) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromocyclopentyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromocyclopentyl)methyl]acetamide
PubChem CID106129003
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromocyclopentyl)methyl]acetamide
SMILESO=C(CC1CC2CCC1C2)NCC1CCC(Br)C1
InChIInChI=1S/C15H24BrNO/c16-14-4-2-11(7-14)9-17-15(18)8-13-6-10-1-3-12(13)5-10/h10-14H,1-9H2,(H,17,18)
InChIKeyVYYHJUFODZIMQP-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.49
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-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chlorocyclohexyl)methyl]acetamide
CID 106133993
2-(2-bicyclo[2.2.1]heptanyl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 80564596
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-bromocyclohexyl)acetamide
CID 114309119
N-[(3-bromocyclopentyl)methyl]-2-cyclopentylacetamide
CID 106128972
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromopropyl)acetamide
CID 43133583
2-(2-bicyclo[2.2.1]heptanyl)-N-[[2-(chloromethyl)cyclopentyl]methyl]acetamide
CID 113273845
2-(2-bicyclo[2.2.1]heptanyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 55084483
2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 18558210
2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide
CID 78784658
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119499875
2-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydroxypropyl)acetamide
CID 66177065
N-(1-adamantylmethyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 25362197

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromocyclopentyl)methyl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromocyclopentyl)methyl]acetamide (CID 106129003) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromocyclopentyl)methyl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromocyclopentyl)methyl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromocyclopentyl)methyl]acetamide is O=C(CC1CC2CCC1C2)NCC1CCC(Br)C1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromocyclopentyl)methyl]acetamide?
The InChIKey is VYYHJUFODZIMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c16-14-4-2-11(7-14)9-17-15(18)8-13-6-10-1-3-12(13)5-10/h10-14H,1-9H2,(H,17,18).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromocyclopentyl)methyl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromocyclopentyl)methyl]acetamide has a molecular weight of 314.27 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromocyclopentyl)methyl]acetamide is sourced from PubChem (CID 106129003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).