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

C20H19FN2O3 — CID 91430767

IUPAC2-[[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC1COCCN1Cc1ccc(F)cc1
InChIInChI=1S/C20H19FN2O3/c21-15-7-5-14(6-8-15)11-22-9-10-26-13-16(22)12-23-19(24)17-3-1-2-4-18(17)20(23)25/h1-8,16H,9-13H2
InChIKeyOABSFZWBVATMMA-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.32
Rot. Bonds4

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

2-[[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methyl]isoindole-1,3-dione (PubChem CID 91430767) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 2-[[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methyl]isoindole-1,3-dione
PubChem CID91430767
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name2-[[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC1COCCN1Cc1ccc(F)cc1
InChIInChI=1S/C20H19FN2O3/c21-15-7-5-14(6-8-15)11-22-9-10-26-13-16(22)12-23-19(24)17-3-1-2-4-18(17)20(23)25/h1-8,16H,9-13H2
InChIKeyOABSFZWBVATMMA-UHFFFAOYSA-N
XLogP2.32
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methyl]isoindole-1,3-dione (CID 91430767) is 2-[[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CC1COCCN1Cc1ccc(F)cc1.
What is the InChIKey of 2-[[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methyl]isoindole-1,3-dione?
The InChIKey is OABSFZWBVATMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c21-15-7-5-14(6-8-15)11-22-9-10-26-13-16(22)12-23-19(24)17-3-1-2-4-18(17)20(23)25/h1-8,16H,9-13H2.
What are the key properties of 2-[[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methyl]isoindole-1,3-dione?
2-[[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methyl]isoindole-1,3-dione has a molecular weight of 354.38 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 91430767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).