2-[2-[3-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione

C20H17FN2O4 — CID 110663852

IUPAC2-[2-[3-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(=O)N1CCOCC1c1ccc(F)cc1
InChIInChI=1S/C20H17FN2O4/c21-14-7-5-13(6-8-14)17-12-27-10-9-22(17)18(24)11-23-19(25)15-3-1-2-4-16(15)20(23)26/h1-8,17H,9-12H2
InChIKeyOUOLCINNAMMCPZ-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.02
Rot. Bonds3

About 2-[2-[3-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione

2-[2-[3-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione (PubChem CID 110663852) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is 2-[2-[3-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[3-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione
PubChem CID110663852
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Name2-[2-[3-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(=O)N1CCOCC1c1ccc(F)cc1
InChIInChI=1S/C20H17FN2O4/c21-14-7-5-13(6-8-14)17-12-27-10-9-22(17)18(24)11-23-19(25)15-3-1-2-4-16(15)20(23)26/h1-8,17H,9-12H2
InChIKeyOUOLCINNAMMCPZ-UHFFFAOYSA-N
XLogP2.02
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 110663846
1-[3-(4-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 110663868
2-(2-fluorophenoxy)-1-[3-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 110663877
1-[3-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 110663815
1-[3-(4-fluorophenyl)morpholin-4-yl]-2-(1H-indol-3-yl)ethanone
CID 110663792
(4-fluorophenyl)-(3-phenylmorpholin-4-yl)methanone
CID 110728336
1-[3-(4-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 110663863
2-(2-fluorophenyl)-1-(3-phenylmorpholin-4-yl)ethanone
CID 110728374
2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione
CID 2829028
2-[2-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110601867
2-amino-1-(3-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119337230
2-[[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methyl]isoindole-1,3-dione
CID 91430767

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[3-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione (CID 110663852) is 2-[2-[3-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[3-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[3-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CC(=O)N1CCOCC1c1ccc(F)cc1.
What is the InChIKey of 2-[2-[3-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is OUOLCINNAMMCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4/c21-14-7-5-13(6-8-14)17-12-27-10-9-22(17)18(24)11-23-19(25)15-3-1-2-4-16(15)20(23)26/h1-8,17H,9-12H2.
What are the key properties of 2-[2-[3-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione?
2-[2-[3-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 368.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 110663852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).