2-(2-bicyclo[2.2.1]heptanyl)-N-(4-bromocyclohexyl)acetamide

C15H24BrNO — CID 114309119

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(4-bromocyclohexyl)acetamide
SMILESO=C(CC1CC2CCC1C2)NC1CCC(Br)CC1
InChIInChI=1S/C15H24BrNO/c16-13-3-5-14(6-4-13)17-15(18)9-12-8-10-1-2-11(12)7-10/h10-14H,1-9H2,(H,17,18)
InChIKeyHTRVBRBUSDZDHP-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.63
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-bromocyclohexyl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(4-bromocyclohexyl)acetamide (PubChem CID 114309119) 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-(4-bromocyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(4-bromocyclohexyl)acetamide
PubChem CID114309119
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(4-bromocyclohexyl)acetamide
SMILESO=C(CC1CC2CCC1C2)NC1CCC(Br)CC1
InChIInChI=1S/C15H24BrNO/c16-13-3-5-14(6-4-13)17-15(18)9-12-8-10-1-2-11(12)7-10/h10-14H,1-9H2,(H,17,18)
InChIKeyHTRVBRBUSDZDHP-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.63
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

3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031304
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-(4-oxocyclohexyl)acetamide
CID 43652801
2-(2-bicyclo[2.2.1]heptanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119449433
2-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromocyclopentyl)methyl]acetamide
CID 106129003
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide
CID 98727736
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 63627160
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide
CID 129421859
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-cycloheptylacetamide
CID 63683149
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]acetamide
CID 21174278
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromopropyl)acetamide
CID 43133583
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(chloromethyl)cyclopentyl]acetamide
CID 106365961

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-bromocyclohexyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-bromocyclohexyl)acetamide (CID 114309119) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-bromocyclohexyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-bromocyclohexyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-bromocyclohexyl)acetamide is O=C(CC1CC2CCC1C2)NC1CCC(Br)CC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-bromocyclohexyl)acetamide?
The InChIKey is HTRVBRBUSDZDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c16-13-3-5-14(6-4-13)17-15(18)9-12-8-10-1-2-11(12)7-10/h10-14H,1-9H2,(H,17,18).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-bromocyclohexyl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-bromocyclohexyl)acetamide has a molecular weight of 314.27 g/mol, XLogP of 3.63, 3 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-(4-bromocyclohexyl)acetamide is sourced from PubChem (CID 114309119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).