4-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)morpholine-2,5-dione

C17H13ClFNO3 — CID 3615802

IUPAC4-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)morpholine-2,5-dione
SMILESO=C1OCC(=O)N(Cc2ccccc2Cl)C1c1ccc(F)cc1
InChIInChI=1S/C17H13ClFNO3/c18-14-4-2-1-3-12(14)9-20-15(21)10-23-17(22)16(20)11-5-7-13(19)8-6-11/h1-8,16H,9-10H2
InChIKeyQNILHUAPSFFHTB-UHFFFAOYSA-N
MW333.75 g/mol
LogP3.11
Rot. Bonds3

About 4-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)morpholine-2,5-dione

4-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)morpholine-2,5-dione (PubChem CID 3615802) has the molecular formula C17H13ClFNO3 and a molecular weight of 333.75 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)morpholine-2,5-dione.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)morpholine-2,5-dione
PubChem CID3615802
Molecular FormulaC17H13ClFNO3
Molecular Weight333.75 g/mol
Exact Mass333.06
IUPAC Name4-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)morpholine-2,5-dione
SMILESO=C1OCC(=O)N(Cc2ccccc2Cl)C1c1ccc(F)cc1
InChIInChI=1S/C17H13ClFNO3/c18-14-4-2-1-3-12(14)9-20-15(21)10-23-17(22)16(20)11-5-7-13(19)8-6-11/h1-8,16H,9-10H2
InChIKeyQNILHUAPSFFHTB-UHFFFAOYSA-N
XLogP3.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)morpholine-2,5-dione?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)morpholine-2,5-dione (CID 3615802) is 4-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)morpholine-2,5-dione.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)morpholine-2,5-dione?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)morpholine-2,5-dione is O=C1OCC(=O)N(Cc2ccccc2Cl)C1c1ccc(F)cc1.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)morpholine-2,5-dione?
The InChIKey is QNILHUAPSFFHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO3/c18-14-4-2-1-3-12(14)9-20-15(21)10-23-17(22)16(20)11-5-7-13(19)8-6-11/h1-8,16H,9-10H2.
What are the key properties of 4-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)morpholine-2,5-dione?
4-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)morpholine-2,5-dione has a molecular weight of 333.75 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)morpholine-2,5-dione is sourced from PubChem (CID 3615802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).