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

C19H16ClNO4 — CID 56763327

IUPAC4-[5-(2-chlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
SMILESCC1(C)OC(=O)C2=C1NC(=O)CC2c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C19H16ClNO4/c1-19(2)17-16(18(23)25-19)11(9-15(22)21-17)14-8-7-13(24-14)10-5-3-4-6-12(10)20/h3-8,11H,9H2,1-2H3,(H,21,22)
InChIKeyQAKFNTXKQGQUOL-UHFFFAOYSA-N
MW357.79 g/mol
LogP3.79
Rot. Bonds2

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

4-[5-(2-chlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 56763327) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is 4-[5-(2-chlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name4-[5-(2-chlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
PubChem CID56763327
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC Name4-[5-(2-chlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
SMILESCC1(C)OC(=O)C2=C1NC(=O)CC2c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C19H16ClNO4/c1-19(2)17-16(18(23)25-19)11(9-15(22)21-17)14-8-7-13(24-14)10-5-3-4-6-12(10)20/h3-8,11H,9H2,1-2H3,(H,21,22)
InChIKeyQAKFNTXKQGQUOL-UHFFFAOYSA-N
XLogP3.79
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-chlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of 4-[5-(2-chlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione (CID 56763327) is 4-[5-(2-chlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for 4-[5-(2-chlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for 4-[5-(2-chlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione is CC1(C)OC(=O)C2=C1NC(=O)CC2c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of 4-[5-(2-chlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is QAKFNTXKQGQUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c1-19(2)17-16(18(23)25-19)11(9-15(22)21-17)14-8-7-13(24-14)10-5-3-4-6-12(10)20/h3-8,11H,9H2,1-2H3,(H,21,22).
What are the key properties of 4-[5-(2-chlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione?
4-[5-(2-chlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione has a molecular weight of 357.79 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-chlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 56763327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).