2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]acetamide

C21H21FN2O2 — CID 56750367

IUPAC2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]acetamide
SMILESO=C(C[C@@H]1C[C@@H]2C=C[C@H]1C2)NCc1cccnc1Oc1ccccc1F
InChIInChI=1S/C21H21FN2O2/c22-18-5-1-2-6-19(18)26-21-16(4-3-9-23-21)13-24-20(25)12-17-11-14-7-8-15(17)10-14/h1-9,14-15,17H,10-13H2,(H,24,25)/t14-,15+,17+/m1/s1
InChIKeyHLWPOVUPZNMUGF-VYDXJSESSA-N
MW352.41 g/mol
LogP4.23
Rot. Bonds6

About 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]acetamide

2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]acetamide (PubChem CID 56750367) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]acetamide
PubChem CID56750367
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]acetamide
SMILESO=C(C[C@@H]1C[C@@H]2C=C[C@H]1C2)NCc1cccnc1Oc1ccccc1F
InChIInChI=1S/C21H21FN2O2/c22-18-5-1-2-6-19(18)26-21-16(4-3-9-23-21)13-24-20(25)12-17-11-14-7-8-15(17)10-14/h1-9,14-15,17H,10-13H2,(H,24,25)/t14-,15+,17+/m1/s1
InChIKeyHLWPOVUPZNMUGF-VYDXJSESSA-N
XLogP4.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 56739016
N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 25281555
(2R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide
CID 95197720
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxyacetamide
CID 56751588
(3R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
CID 95193249
(2S)-3-(dimethylamino)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropanamide
CID 95394220
3-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 56738366
4-ethenyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]benzamide
CID 56747430
(2S)-1-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 42198821
N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 56752779
(3R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-methylpentanamide
CID 95190027
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 56757836

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]acetamide (CID 56750367) is 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]acetamide is O=C(C[C@@H]1C[C@@H]2C=C[C@H]1C2)NCc1cccnc1Oc1ccccc1F.
What is the InChIKey of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]acetamide?
The InChIKey is HLWPOVUPZNMUGF-VYDXJSESSA-N. The full InChI is InChI=1S/C21H21FN2O2/c22-18-5-1-2-6-19(18)26-21-16(4-3-9-23-21)13-24-20(25)12-17-11-14-7-8-15(17)10-14/h1-9,14-15,17H,10-13H2,(H,24,25)/t14-,15+,17+/m1/s1.
What are the key properties of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]acetamide?
2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]acetamide has a molecular weight of 352.41 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 56750367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).