3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(4-fluorophenyl)propanamide

C18H19FN2O3 — CID 2925491

IUPAC3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(4-fluorophenyl)propanamide
SMILESO=C(CCN1C(=O)C2C3CCC(C3)C2C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3/c19-12-3-5-13(6-4-12)20-14(22)7-8-21-17(23)15-10-1-2-11(9-10)16(15)18(21)24/h3-6,10-11,15-16H,1-2,7-9H2,(H,20,22)
InChIKeyJOVUNFDAJBFQME-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.19
Rot. Bonds4

About 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(4-fluorophenyl)propanamide

3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(4-fluorophenyl)propanamide (PubChem CID 2925491) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(4-fluorophenyl)propanamide
PubChem CID2925491
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(4-fluorophenyl)propanamide
SMILESO=C(CCN1C(=O)C2C3CCC(C3)C2C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3/c19-12-3-5-13(6-4-12)20-14(22)7-8-21-17(23)15-10-1-2-11(9-10)16(15)18(21)24/h3-6,10-11,15-16H,1-2,7-9H2,(H,20,22)
InChIKeyJOVUNFDAJBFQME-UHFFFAOYSA-N
XLogP2.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-N-(2-ethylphenyl)propanamide
CID 3776698
2-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)-4-methyl-N-phenylpentanamide
CID 2967437
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 16546598
3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 2925597
N-[4-(diethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 2933368
(2S,6R)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 44388963
N-(2,4-dichlorophenyl)-3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanamide
CID 2924913
3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-N-(4-nitrophenyl)propanamide
CID 2925480
N-[2-(3,4-dihydroquinolin-1(2H)-yl)ethyl]-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanamide
CID 3237832
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(4-fluorophenyl)propanamide
CID 3239586
2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione
CID 3242204
2-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione
CID 3244446

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(4-fluorophenyl)propanamide (CID 2925491) is 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(4-fluorophenyl)propanamide is O=C(CCN1C(=O)C2C3CCC(C3)C2C1=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(4-fluorophenyl)propanamide?
The InChIKey is JOVUNFDAJBFQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-12-3-5-13(6-4-12)20-14(22)7-8-21-17(23)15-10-1-2-11(9-10)16(15)18(21)24/h3-6,10-11,15-16H,1-2,7-9H2,(H,20,22).
What are the key properties of 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(4-fluorophenyl)propanamide?
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(4-fluorophenyl)propanamide has a molecular weight of 330.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 2925491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).