6-[2-(3-fluorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one

C18H19FN2O2 — CID 91791269

IUPAC6-[2-(3-fluorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cccc(=O)[nH]1)N1CCCCCC1c1cccc(F)c1
InChIInChI=1S/C18H19FN2O2/c19-14-7-4-6-13(12-14)16-9-2-1-3-11-21(16)18(23)15-8-5-10-17(22)20-15/h4-8,10,12,16H,1-3,9,11H2,(H,20,22)
InChIKeyROQXHVIEPPGFQV-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.27
Rot. Bonds2

About 6-[2-(3-fluorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one

6-[2-(3-fluorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one (PubChem CID 91791269) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 6-[2-(3-fluorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[2-(3-fluorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one
PubChem CID91791269
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name6-[2-(3-fluorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cccc(=O)[nH]1)N1CCCCCC1c1cccc(F)c1
InChIInChI=1S/C18H19FN2O2/c19-14-7-4-6-13(12-14)16-9-2-1-3-11-21(16)18(23)15-8-5-10-17(22)20-15/h4-8,10,12,16H,1-3,9,11H2,(H,20,22)
InChIKeyROQXHVIEPPGFQV-UHFFFAOYSA-N
XLogP3.27
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-fluorophenyl)azepan-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 70733375
5-[2-(3-fluorophenyl)azepane-1-carbonyl]-1-methylpyrimidine-2,4-dione
CID 91793434
2-(3-fluorophenyl)piperidine-1-carboxamide
CID 141445896
6-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 125014374
[2-(3-fluorophenyl)azepan-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
CID 91838120
(2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747079
(2-chloro-6-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747030
[2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 70739283
(1,2-dimethylpyrrol-3-yl)-[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methanone
CID 125158443
[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 96572952
[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 124751149
[2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119721878

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-fluorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-[2-(3-fluorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one (CID 91791269) is 6-[2-(3-fluorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[2-(3-fluorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[2-(3-fluorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one is O=C(c1cccc(=O)[nH]1)N1CCCCCC1c1cccc(F)c1.
What is the InChIKey of 6-[2-(3-fluorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is ROQXHVIEPPGFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-14-7-4-6-13(12-14)16-9-2-1-3-11-21(16)18(23)15-8-5-10-17(22)20-15/h4-8,10,12,16H,1-3,9,11H2,(H,20,22).
What are the key properties of 6-[2-(3-fluorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one?
6-[2-(3-fluorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 314.36 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-fluorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 91791269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).