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

C20H16ClNO3 — CID 5294682

IUPAC4-(3-chlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(c3cccc(Cl)c3)C3=C2COC3=O)c1
InChIInChI=1S/C20H16ClNO3/c1-12-4-2-7-15(8-12)22-17-11-25-20(24)19(17)16(10-18(22)23)13-5-3-6-14(21)9-13/h2-9,16H,10-11H2,1H3
InChIKeyDMLXNSWLMMBXKK-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.98
Rot. Bonds2

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

4-(3-chlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 5294682) has the molecular formula C20H16ClNO3 and a molecular weight of 353.81 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
PubChem CID5294682
Molecular FormulaC20H16ClNO3
Molecular Weight353.81 g/mol
Exact Mass353.08
IUPAC Name4-(3-chlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(c3cccc(Cl)c3)C3=C2COC3=O)c1
InChIInChI=1S/C20H16ClNO3/c1-12-4-2-7-15(8-12)22-17-11-25-20(24)19(17)16(10-18(22)23)13-5-3-6-14(21)9-13/h2-9,16H,10-11H2,1H3
InChIKeyDMLXNSWLMMBXKK-UHFFFAOYSA-N
XLogP3.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of 4-(3-chlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (CID 5294682) is 4-(3-chlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for 4-(3-chlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for 4-(3-chlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is Cc1cccc(N2C(=O)CC(c3cccc(Cl)c3)C3=C2COC3=O)c1.
What is the InChIKey of 4-(3-chlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is DMLXNSWLMMBXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO3/c1-12-4-2-7-15(8-12)22-17-11-25-20(24)19(17)16(10-18(22)23)13-5-3-6-14(21)9-13/h2-9,16H,10-11H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
4-(3-chlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione has a molecular weight of 353.81 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 5294682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).