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

C20H15Cl2NO3 — CID 4920669

IUPAC4-(2,4-dichlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(c3ccc(Cl)cc3Cl)C3=C2COC3=O)c1
InChIInChI=1S/C20H15Cl2NO3/c1-11-3-2-4-13(7-11)23-17-10-26-20(25)19(17)15(9-18(23)24)14-6-5-12(21)8-16(14)22/h2-8,15H,9-10H2,1H3
InChIKeyGSVSHKQSVHYBDD-UHFFFAOYSA-N
MW388.25 g/mol
LogP4.63
Rot. Bonds2

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

4-(2,4-dichlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 4920669) has the molecular formula C20H15Cl2NO3 and a molecular weight of 388.25 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
PubChem CID4920669
Molecular FormulaC20H15Cl2NO3
Molecular Weight388.25 g/mol
Exact Mass387.04
IUPAC Name4-(2,4-dichlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(c3ccc(Cl)cc3Cl)C3=C2COC3=O)c1
InChIInChI=1S/C20H15Cl2NO3/c1-11-3-2-4-13(7-11)23-17-10-26-20(25)19(17)15(9-18(23)24)14-6-5-12(21)8-16(14)22/h2-8,15H,9-10H2,1H3
InChIKeyGSVSHKQSVHYBDD-UHFFFAOYSA-N
XLogP4.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2,4-dichlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of 4-(2,4-dichlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (CID 4920669) is 4-(2,4-dichlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for 4-(2,4-dichlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is Cc1cccc(N2C(=O)CC(c3ccc(Cl)cc3Cl)C3=C2COC3=O)c1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is GSVSHKQSVHYBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2NO3/c1-11-3-2-4-13(7-11)23-17-10-26-20(25)19(17)15(9-18(23)24)14-6-5-12(21)8-16(14)22/h2-8,15H,9-10H2,1H3.
What are the key properties of 4-(2,4-dichlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
4-(2,4-dichlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione has a molecular weight of 388.25 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 4920669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).