2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-fluorophenyl)acetamide

C18H17FN2O3 — CID 15993529

IUPAC2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)C2C3C=CC(CC3)C2C1=O)Nc1cccc(F)c1
InChIInChI=1S/C18H17FN2O3/c19-12-2-1-3-13(8-12)20-14(22)9-21-17(23)15-10-4-5-11(7-6-10)16(15)18(21)24/h1-5,8,10-11,15-16H,6-7,9H2,(H,20,22)
InChIKeyCEWBCROWLRKODG-UHFFFAOYSA-N
MW328.34 g/mol
LogP1.96
Rot. Bonds3

About 2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-fluorophenyl)acetamide

2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-fluorophenyl)acetamide (PubChem CID 15993529) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-fluorophenyl)acetamide
PubChem CID15993529
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)C2C3C=CC(CC3)C2C1=O)Nc1cccc(F)c1
InChIInChI=1S/C18H17FN2O3/c19-12-2-1-3-13(8-12)20-14(22)9-21-17(23)15-10-4-5-11(7-6-10)16(15)18(21)24/h1-5,8,10-11,15-16H,6-7,9H2,(H,20,22)
InChIKeyCEWBCROWLRKODG-UHFFFAOYSA-N
XLogP1.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-phenylacetamide
CID 223985
ST4026792
CID 556822
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-(2-isopropyl-phenyl)-acetamide
CID 680595
2-(2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-N-(4-fluorophenyl)acetamide
CID 2078174
2-(4-fluorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CID 2860972
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4784508
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 16546598
2-(1,3-dioxoisoindol-2-yl)-N-(2-fluorophenyl)acetamide
CID 723287
2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-2-oxo-N-(2-oxo-2,3-dihydro-1H-indol-5-yl)-acetamide
CID 9908680
3-{4-[4-(4-Fluorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 11646336
(1S,2S,5RS)-N-hydroxy-5-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-2-(4-phenylpiperazine-1-carbonyl)cyclohexanecarboxamide
CID 11751106
5-fluoro-3-[4-(4-phenyl-piperazin-1-yl)-butyl]-1,3-dihydro-2H-indol-2-one
CID 24854106

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-fluorophenyl)acetamide (CID 15993529) is 2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-fluorophenyl)acetamide is O=C(CN1C(=O)C2C3C=CC(CC3)C2C1=O)Nc1cccc(F)c1.
What is the InChIKey of 2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-fluorophenyl)acetamide?
The InChIKey is CEWBCROWLRKODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c19-12-2-1-3-13(8-12)20-14(22)9-21-17(23)15-10-4-5-11(7-6-10)16(15)18(21)24/h1-5,8,10-11,15-16H,6-7,9H2,(H,20,22).
What are the key properties of 2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-fluorophenyl)acetamide?
2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-fluorophenyl)acetamide has a molecular weight of 328.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 15993529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).