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

C12H20BrNO — CID 43133583

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromopropyl)acetamide
SMILESO=C(CC1CC2CCC1C2)NCCCBr
InChIInChI=1S/C12H20BrNO/c13-4-1-5-14-12(15)8-11-7-9-2-3-10(11)6-9/h9-11H,1-8H2,(H,14,15)
InChIKeyKRRFYXXBQBSELO-UHFFFAOYSA-N
MW274.20 g/mol
LogP2.71
Rot. Bonds5

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

2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromopropyl)acetamide (PubChem CID 43133583) has the molecular formula C12H20BrNO and a molecular weight of 274.20 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromopropyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromopropyl)acetamide
PubChem CID43133583
Molecular FormulaC12H20BrNO
Molecular Weight274.20 g/mol
Exact Mass273.07
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromopropyl)acetamide
SMILESO=C(CC1CC2CCC1C2)NCCCBr
InChIInChI=1S/C12H20BrNO/c13-4-1-5-14-12(15)8-11-7-9-2-3-10(11)6-9/h9-11H,1-8H2,(H,14,15)
InChIKeyKRRFYXXBQBSELO-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide
CID 78784658
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyanopropyl)acetamide
CID 55209376
2-(2-bicyclo[2.2.1]heptanyl)-N-pent-4-ynylacetamide
CID 103708805
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119499875
5-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-methylpentanoic acid
CID 113440686
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504552
2-[2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]ethoxy]acetic acid
CID 79469647
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 54579772
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-piperidin-4-yloxypropyl)acetamide
CID 63870947
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromo-4-methoxybutyl)acetamide
CID 106245316
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-[(3-bromocyclopentyl)methyl]acetamide
CID 106129003

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromopropyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromopropyl)acetamide (CID 43133583) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromopropyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromopropyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromopropyl)acetamide is O=C(CC1CC2CCC1C2)NCCCBr.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromopropyl)acetamide?
The InChIKey is KRRFYXXBQBSELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNO/c13-4-1-5-14-12(15)8-11-7-9-2-3-10(11)6-9/h9-11H,1-8H2,(H,14,15).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromopropyl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromopropyl)acetamide has a molecular weight of 274.20 g/mol, XLogP of 2.71, 5 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-bromopropyl)acetamide is sourced from PubChem (CID 43133583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).