N-(2-bicyclo[2.2.1]heptanyl)-2-bromo-2-methylpropanamide

C11H18BrNO — CID 114328764

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-bromo-2-methylpropanamide
SMILESCC(C)(Br)C(=O)NC1CC2CCC1C2
InChIInChI=1S/C11H18BrNO/c1-11(2,12)10(14)13-9-6-7-3-4-8(9)5-7/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyZDKXZIZKOJCEMG-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.46
Rot. Bonds2

About N-(2-bicyclo[2.2.1]heptanyl)-2-bromo-2-methylpropanamide

N-(2-bicyclo[2.2.1]heptanyl)-2-bromo-2-methylpropanamide (PubChem CID 114328764) has the molecular formula C11H18BrNO and a molecular weight of 260.17 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-bromo-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-bromo-2-methylpropanamide
PubChem CID114328764
Molecular FormulaC11H18BrNO
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-bromo-2-methylpropanamide
SMILESCC(C)(Br)C(=O)NC1CC2CCC1C2
InChIInChI=1S/C11H18BrNO/c1-11(2,12)10(14)13-9-6-7-3-4-8(9)5-7/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyZDKXZIZKOJCEMG-UHFFFAOYSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.46
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-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropanamide
CID 98231847
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide
CID 98230994
2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide
CID 77045509
[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea
CID 98511353
1-N,3-N,5-N-tris(2-bicyclo[2.2.1]heptanyl)cyclohexane-1,3,5-tricarboxamide
CID 171722556
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide
CID 14619230
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyacetamide
CID 96569471
N-(2-bicyclo[2.2.1]heptanyl)-3-bromoprop-2-ynamide
CID 131036709
N-(3-bicyclo[3.1.0]hexanyl)-2-bromo-2-methylpropanamide
CID 130951926
3-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-1-methylurea
CID 115642104
N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 21383086
1-acetamido-3-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]thiourea
CID 21174598

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-bromo-2-methylpropanamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-bromo-2-methylpropanamide (CID 114328764) is N-(2-bicyclo[2.2.1]heptanyl)-2-bromo-2-methylpropanamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-bromo-2-methylpropanamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-bromo-2-methylpropanamide is CC(C)(Br)C(=O)NC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-bromo-2-methylpropanamide?
The InChIKey is ZDKXZIZKOJCEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO/c1-11(2,12)10(14)13-9-6-7-3-4-8(9)5-7/h7-9H,3-6H2,1-2H3,(H,13,14).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-bromo-2-methylpropanamide?
N-(2-bicyclo[2.2.1]heptanyl)-2-bromo-2-methylpropanamide has a molecular weight of 260.17 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-2-bromo-2-methylpropanamide is sourced from PubChem (CID 114328764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).