2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromo-4-methoxybutyl)acetamide

C14H24BrNO2 — CID 106245316

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromo-4-methoxybutyl)acetamide
SMILESCOCC(Br)CCNC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H24BrNO2/c1-18-9-13(15)4-5-16-14(17)8-12-7-10-2-3-11(12)6-10/h10-13H,2-9H2,1H3,(H,16,17)
InChIKeyRDODILQRKYEYSR-UHFFFAOYSA-N
MW318.26 g/mol
LogP2.73
Rot. Bonds7

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromo-4-methoxybutyl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromo-4-methoxybutyl)acetamide (PubChem CID 106245316) has the molecular formula C14H24BrNO2 and a molecular weight of 318.26 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromo-4-methoxybutyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromo-4-methoxybutyl)acetamide
PubChem CID106245316
Molecular FormulaC14H24BrNO2
Molecular Weight318.26 g/mol
Exact Mass317.10
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromo-4-methoxybutyl)acetamide
SMILESCOCC(Br)CCNC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H24BrNO2/c1-18-9-13(15)4-5-16-14(17)8-12-7-10-2-3-11(12)6-10/h10-13H,2-9H2,1H3,(H,16,17)
InChIKeyRDODILQRKYEYSR-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-bromo-3-methoxypropyl)acetamide
CID 114310041
N-(3-amino-4-methoxybutyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 106242862
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 98679471
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 98679474
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799359
N-(3-bromo-4-methoxybutyl)-2-(thian-4-yl)acetamide
CID 106245071
2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide
CID 78784658
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromopropyl)acetamide
CID 43133583
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-(1-hydroxy-4-methoxybutan-2-yl)acetamide
CID 114211440
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504552

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromo-4-methoxybutyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromo-4-methoxybutyl)acetamide (CID 106245316) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromo-4-methoxybutyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromo-4-methoxybutyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromo-4-methoxybutyl)acetamide is COCC(Br)CCNC(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromo-4-methoxybutyl)acetamide?
The InChIKey is RDODILQRKYEYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNO2/c1-18-9-13(15)4-5-16-14(17)8-12-7-10-2-3-11(12)6-10/h10-13H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromo-4-methoxybutyl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromo-4-methoxybutyl)acetamide has a molecular weight of 318.26 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromo-4-methoxybutyl)acetamide is sourced from PubChem (CID 106245316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).