2-(2-bicyclo[2.2.1]heptanyl)-N-(6-fluoro-2-pyridinyl)acetamide

C14H17FN2O — CID 113456876

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(6-fluoro-2-pyridinyl)acetamide
SMILESO=C(CC1CC2CCC1C2)Nc1cccc(F)n1
InChIInChI=1S/C14H17FN2O/c15-12-2-1-3-13(16-12)17-14(18)8-11-7-9-4-5-10(11)6-9/h1-3,9-11H,4-8H2,(H,16,17,18)
InChIKeyRLFIGJSSPUGFPS-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.99
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(6-fluoro-2-pyridinyl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(6-fluoro-2-pyridinyl)acetamide (PubChem CID 113456876) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(6-fluoro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(6-fluoro-2-pyridinyl)acetamide
PubChem CID113456876
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(6-fluoro-2-pyridinyl)acetamide
SMILESO=C(CC1CC2CCC1C2)Nc1cccc(F)n1
InChIInChI=1S/C14H17FN2O/c15-12-2-1-3-13(16-12)17-14(18)8-11-7-9-4-5-10(11)6-9/h1-3,9-11H,4-8H2,(H,16,17,18)
InChIKeyRLFIGJSSPUGFPS-UHFFFAOYSA-N
XLogP2.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluorophenyl)acetamide
CID 7947448
N-(3-acetamidophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 18074570
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 7769996
2-(2-bicyclo[2.2.1]heptanyl)-N-(5-methyl-2-pyridinyl)acetamide
CID 51188825
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide
CID 23307105
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(5-chloro-2-fluorophenyl)acetamide
CID 18557378
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide
CID 7740170
2-(2-bicyclo[2.2.1]heptanyl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 4815541
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-methylsulfanylphenyl)acetamide
CID 11918482
N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11914325
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methylphenyl)acetamide
CID 11923124
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-iodophenyl)acetamide
CID 18556276

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(6-fluoro-2-pyridinyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(6-fluoro-2-pyridinyl)acetamide (CID 113456876) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(6-fluoro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(6-fluoro-2-pyridinyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(6-fluoro-2-pyridinyl)acetamide is O=C(CC1CC2CCC1C2)Nc1cccc(F)n1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(6-fluoro-2-pyridinyl)acetamide?
The InChIKey is RLFIGJSSPUGFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c15-12-2-1-3-13(16-12)17-14(18)8-11-7-9-4-5-10(11)6-9/h1-3,9-11H,4-8H2,(H,16,17,18).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(6-fluoro-2-pyridinyl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(6-fluoro-2-pyridinyl)acetamide has a molecular weight of 248.30 g/mol, XLogP of 2.99, 3 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-(6-fluoro-2-pyridinyl)acetamide is sourced from PubChem (CID 113456876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).