1-benzyl-5-[2-(4-chlorophenyl)ethyl]-1-methylfuro[3,4-c]pyridine-3,4-dione

C23H20ClNO3 — CID 73347304

IUPAC1-benzyl-5-[2-(4-chlorophenyl)ethyl]-1-methylfuro[3,4-c]pyridine-3,4-dione
SMILESCC1(Cc2ccccc2)OC(=O)c2c1ccn(CCc1ccc(Cl)cc1)c2=O
InChIInChI=1S/C23H20ClNO3/c1-23(15-17-5-3-2-4-6-17)19-12-14-25(21(26)20(19)22(27)28-23)13-11-16-7-9-18(24)10-8-16/h2-10,12,14H,11,13,15H2,1H3
InChIKeyZGCWGZACIPZDKE-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.37
Rot. Bonds5

About 1-benzyl-5-[2-(4-chlorophenyl)ethyl]-1-methylfuro[3,4-c]pyridine-3,4-dione

1-benzyl-5-[2-(4-chlorophenyl)ethyl]-1-methylfuro[3,4-c]pyridine-3,4-dione (PubChem CID 73347304) has the molecular formula C23H20ClNO3 and a molecular weight of 393.87 g/mol. Its IUPAC name is 1-benzyl-5-[2-(4-chlorophenyl)ethyl]-1-methylfuro[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name1-benzyl-5-[2-(4-chlorophenyl)ethyl]-1-methylfuro[3,4-c]pyridine-3,4-dione
PubChem CID73347304
Molecular FormulaC23H20ClNO3
Molecular Weight393.87 g/mol
Exact Mass393.11
IUPAC Name1-benzyl-5-[2-(4-chlorophenyl)ethyl]-1-methylfuro[3,4-c]pyridine-3,4-dione
SMILESCC1(Cc2ccccc2)OC(=O)c2c1ccn(CCc1ccc(Cl)cc1)c2=O
InChIInChI=1S/C23H20ClNO3/c1-23(15-17-5-3-2-4-6-17)19-12-14-25(21(26)20(19)22(27)28-23)13-11-16-7-9-18(24)10-8-16/h2-10,12,14H,11,13,15H2,1H3
InChIKeyZGCWGZACIPZDKE-UHFFFAOYSA-N
XLogP4.37
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[2-(4-chlorophenyl)ethyl]-1-methylfuro[3,4-c]pyridine-3,4-dione?
The IUPAC name of 1-benzyl-5-[2-(4-chlorophenyl)ethyl]-1-methylfuro[3,4-c]pyridine-3,4-dione (CID 73347304) is 1-benzyl-5-[2-(4-chlorophenyl)ethyl]-1-methylfuro[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for 1-benzyl-5-[2-(4-chlorophenyl)ethyl]-1-methylfuro[3,4-c]pyridine-3,4-dione?
The canonical SMILES for 1-benzyl-5-[2-(4-chlorophenyl)ethyl]-1-methylfuro[3,4-c]pyridine-3,4-dione is CC1(Cc2ccccc2)OC(=O)c2c1ccn(CCc1ccc(Cl)cc1)c2=O.
What is the InChIKey of 1-benzyl-5-[2-(4-chlorophenyl)ethyl]-1-methylfuro[3,4-c]pyridine-3,4-dione?
The InChIKey is ZGCWGZACIPZDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO3/c1-23(15-17-5-3-2-4-6-17)19-12-14-25(21(26)20(19)22(27)28-23)13-11-16-7-9-18(24)10-8-16/h2-10,12,14H,11,13,15H2,1H3.
What are the key properties of 1-benzyl-5-[2-(4-chlorophenyl)ethyl]-1-methylfuro[3,4-c]pyridine-3,4-dione?
1-benzyl-5-[2-(4-chlorophenyl)ethyl]-1-methylfuro[3,4-c]pyridine-3,4-dione has a molecular weight of 393.87 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[2-(4-chlorophenyl)ethyl]-1-methylfuro[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 73347304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).