4-benzyl-3-(4-fluorophenyl)morpholine-2,5-dione

C17H14FNO3 — CID 3615805

IUPAC4-benzyl-3-(4-fluorophenyl)morpholine-2,5-dione
SMILESO=C1OCC(=O)N(Cc2ccccc2)C1c1ccc(F)cc1
InChIInChI=1S/C17H14FNO3/c18-14-8-6-13(7-9-14)16-17(21)22-11-15(20)19(16)10-12-4-2-1-3-5-12/h1-9,16H,10-11H2
InChIKeyWEARFVHKRIMOJA-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.45
Rot. Bonds3

About 4-benzyl-3-(4-fluorophenyl)morpholine-2,5-dione

4-benzyl-3-(4-fluorophenyl)morpholine-2,5-dione (PubChem CID 3615805) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is 4-benzyl-3-(4-fluorophenyl)morpholine-2,5-dione.

Molecular Properties

Compound Name4-benzyl-3-(4-fluorophenyl)morpholine-2,5-dione
PubChem CID3615805
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Name4-benzyl-3-(4-fluorophenyl)morpholine-2,5-dione
SMILESO=C1OCC(=O)N(Cc2ccccc2)C1c1ccc(F)cc1
InChIInChI=1S/C17H14FNO3/c18-14-8-6-13(7-9-14)16-17(21)22-11-15(20)19(16)10-12-4-2-1-3-5-12/h1-9,16H,10-11H2
InChIKeyWEARFVHKRIMOJA-UHFFFAOYSA-N
XLogP2.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-(4-fluorophenyl)morpholine-2,5-dione?
The IUPAC name of 4-benzyl-3-(4-fluorophenyl)morpholine-2,5-dione (CID 3615805) is 4-benzyl-3-(4-fluorophenyl)morpholine-2,5-dione.
What is the SMILES notation for 4-benzyl-3-(4-fluorophenyl)morpholine-2,5-dione?
The canonical SMILES for 4-benzyl-3-(4-fluorophenyl)morpholine-2,5-dione is O=C1OCC(=O)N(Cc2ccccc2)C1c1ccc(F)cc1.
What is the InChIKey of 4-benzyl-3-(4-fluorophenyl)morpholine-2,5-dione?
The InChIKey is WEARFVHKRIMOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3/c18-14-8-6-13(7-9-14)16-17(21)22-11-15(20)19(16)10-12-4-2-1-3-5-12/h1-9,16H,10-11H2.
What are the key properties of 4-benzyl-3-(4-fluorophenyl)morpholine-2,5-dione?
4-benzyl-3-(4-fluorophenyl)morpholine-2,5-dione has a molecular weight of 299.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-(4-fluorophenyl)morpholine-2,5-dione is sourced from PubChem (CID 3615805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).