1-(3-fluorophenyl)-6,7-dihydro-5H-1-benzazonine-2,4-dione

C18H16FNO2 — CID 164678079

IUPAC1-(3-fluorophenyl)-6,7-dihydro-5H-1-benzazonine-2,4-dione
SMILESO=C1CCCc2ccccc2N(c2cccc(F)c2)C(=O)C1
InChIInChI=1S/C18H16FNO2/c19-14-7-4-8-15(11-14)20-17-10-2-1-5-13(17)6-3-9-16(21)12-18(20)22/h1-2,4-5,7-8,10-11H,3,6,9,12H2
InChIKeyMZWZMEWVXQAOFV-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.79
Rot. Bonds1

About 1-(3-fluorophenyl)-6,7-dihydro-5H-1-benzazonine-2,4-dione

1-(3-fluorophenyl)-6,7-dihydro-5H-1-benzazonine-2,4-dione (PubChem CID 164678079) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-6,7-dihydro-5H-1-benzazonine-2,4-dione.

Molecular Properties

Compound Name1-(3-fluorophenyl)-6,7-dihydro-5H-1-benzazonine-2,4-dione
PubChem CID164678079
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name1-(3-fluorophenyl)-6,7-dihydro-5H-1-benzazonine-2,4-dione
SMILESO=C1CCCc2ccccc2N(c2cccc(F)c2)C(=O)C1
InChIInChI=1S/C18H16FNO2/c19-14-7-4-8-15(11-14)20-17-10-2-1-5-13(17)6-3-9-16(21)12-18(20)22/h1-2,4-5,7-8,10-11H,3,6,9,12H2
InChIKeyMZWZMEWVXQAOFV-UHFFFAOYSA-N
XLogP3.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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1-(3-methylphenyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 56977746
1-phenyl-5H-1-benzazepine-2,4-dione
CID 67618146
1-(3-fluorophenyl)piperidine-2,4-dione
CID 79515239
1-(3-fluorophenyl)-3H-1,4-benzodiazepin-2-one
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3-(3-fluorophenyl)-1-phenylimidazolidine-2,4-dione
CID 61030217
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-fluorophenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557064
N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 7215552
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-ethoxyphenyl)-1-(3-fluorophenyl)pyrrole-2,5-dione
CID 110547250
3'-(3-fluorophenyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 154863476
2,3,9,10-tetrafluoro-6,13-bis(3-fluorophenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
CID 171592280

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-6,7-dihydro-5H-1-benzazonine-2,4-dione?
The IUPAC name of 1-(3-fluorophenyl)-6,7-dihydro-5H-1-benzazonine-2,4-dione (CID 164678079) is 1-(3-fluorophenyl)-6,7-dihydro-5H-1-benzazonine-2,4-dione.
What is the SMILES notation for 1-(3-fluorophenyl)-6,7-dihydro-5H-1-benzazonine-2,4-dione?
The canonical SMILES for 1-(3-fluorophenyl)-6,7-dihydro-5H-1-benzazonine-2,4-dione is O=C1CCCc2ccccc2N(c2cccc(F)c2)C(=O)C1.
What is the InChIKey of 1-(3-fluorophenyl)-6,7-dihydro-5H-1-benzazonine-2,4-dione?
The InChIKey is MZWZMEWVXQAOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c19-14-7-4-8-15(11-14)20-17-10-2-1-5-13(17)6-3-9-16(21)12-18(20)22/h1-2,4-5,7-8,10-11H,3,6,9,12H2.
What are the key properties of 1-(3-fluorophenyl)-6,7-dihydro-5H-1-benzazonine-2,4-dione?
1-(3-fluorophenyl)-6,7-dihydro-5H-1-benzazonine-2,4-dione has a molecular weight of 297.33 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-6,7-dihydro-5H-1-benzazonine-2,4-dione is sourced from PubChem (CID 164678079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).