4-(4-chlorophenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione

C19H13ClFNO3 — CID 4920492

IUPAC4-(4-chlorophenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESO=C1OCC2=C1C(c1ccc(Cl)cc1)CC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C19H13ClFNO3/c20-12-3-1-11(2-4-12)15-9-17(23)22(14-7-5-13(21)6-8-14)16-10-25-19(24)18(15)16/h1-8,15H,9-10H2
InChIKeyVYXKVPMSUXKJNC-UHFFFAOYSA-N
MW357.77 g/mol
LogP3.81
Rot. Bonds2

About 4-(4-chlorophenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione

4-(4-chlorophenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 4920492) has the molecular formula C19H13ClFNO3 and a molecular weight of 357.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
PubChem CID4920492
Molecular FormulaC19H13ClFNO3
Molecular Weight357.77 g/mol
Exact Mass357.06
IUPAC Name4-(4-chlorophenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESO=C1OCC2=C1C(c1ccc(Cl)cc1)CC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C19H13ClFNO3/c20-12-3-1-11(2-4-12)15-9-17(23)22(14-7-5-13(21)6-8-14)16-10-25-19(24)18(15)16/h1-8,15H,9-10H2
InChIKeyVYXKVPMSUXKJNC-UHFFFAOYSA-N
XLogP3.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of 4-(4-chlorophenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (CID 4920492) is 4-(4-chlorophenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for 4-(4-chlorophenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is O=C1OCC2=C1C(c1ccc(Cl)cc1)CC(=O)N2c1ccc(F)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is VYXKVPMSUXKJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFNO3/c20-12-3-1-11(2-4-12)15-9-17(23)22(14-7-5-13(21)6-8-14)16-10-25-19(24)18(15)16/h1-8,15H,9-10H2.
What are the key properties of 4-(4-chlorophenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
4-(4-chlorophenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione has a molecular weight of 357.77 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 4920492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).