N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide

C11H18BrNO — CID 60651144

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
SMILESCC(NC(=O)CBr)C1CC2CCC1C2
InChIInChI=1S/C11H18BrNO/c1-7(13-11(14)6-12)10-5-8-2-3-9(10)4-8/h7-10H,2-6H2,1H3,(H,13,14)
InChIKeyFGCXXHISWMAOJU-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.32
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide (PubChem CID 60651144) has the molecular formula C11H18BrNO and a molecular weight of 260.17 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
PubChem CID60651144
Molecular FormulaC11H18BrNO
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
SMILESCC(NC(=O)CBr)C1CC2CCC1C2
InChIInChI=1S/C11H18BrNO/c1-7(13-11(14)6-12)10-5-8-2-3-9(10)4-8/h7-10H,2-6H2,1H3,(H,13,14)
InChIKeyFGCXXHISWMAOJU-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.32
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,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide
CID 3500052
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137772
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137773
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylbutanamide
CID 98233114
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[3-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-oxopropyl]sulfanylpropanamide
CID 100726421
1-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclohexane-1,4-dicarboxamide
CID 98390836
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylsulfonylacetamide
CID 98784730
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-cyanoacetamide
CID 98150839
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 54924868
4-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanamide;hydrochloride
CID 120558701
methyl 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-4-oxobutanoate
CID 108808723
[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]urea
CID 98054797

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide (CID 60651144) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide is CC(NC(=O)CBr)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide?
The InChIKey is FGCXXHISWMAOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO/c1-7(13-11(14)6-12)10-5-8-2-3-9(10)4-8/h7-10H,2-6H2,1H3,(H,13,14).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide has a molecular weight of 260.17 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide is sourced from PubChem (CID 60651144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).