4-[[4-(2-fluorophenyl)phenyl]methyl]-8,8a-dihydro-4aH-pyrano[3,2-c]pyridine-2,5,7-trione

C21H16FNO4 — CID 58317145

IUPAC4-[[4-(2-fluorophenyl)phenyl]methyl]-8,8a-dihydro-4aH-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1CC2OC(=O)C=C(Cc3ccc(-c4ccccc4F)cc3)C2C(=O)N1
InChIInChI=1S/C21H16FNO4/c22-16-4-2-1-3-15(16)13-7-5-12(6-8-13)9-14-10-19(25)27-17-11-18(24)23-21(26)20(14)17/h1-8,10,17,20H,9,11H2,(H,23,24,26)
InChIKeyYMALDJWTEBCMOU-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.55
Rot. Bonds3

About 4-[[4-(2-fluorophenyl)phenyl]methyl]-8,8a-dihydro-4aH-pyrano[3,2-c]pyridine-2,5,7-trione

4-[[4-(2-fluorophenyl)phenyl]methyl]-8,8a-dihydro-4aH-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317145) has the molecular formula C21H16FNO4 and a molecular weight of 365.36 g/mol. Its IUPAC name is 4-[[4-(2-fluorophenyl)phenyl]methyl]-8,8a-dihydro-4aH-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-[[4-(2-fluorophenyl)phenyl]methyl]-8,8a-dihydro-4aH-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317145
Molecular FormulaC21H16FNO4
Molecular Weight365.36 g/mol
Exact Mass365.11
IUPAC Name4-[[4-(2-fluorophenyl)phenyl]methyl]-8,8a-dihydro-4aH-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1CC2OC(=O)C=C(Cc3ccc(-c4ccccc4F)cc3)C2C(=O)N1
InChIInChI=1S/C21H16FNO4/c22-16-4-2-1-3-15(16)13-7-5-12(6-8-13)9-14-10-19(25)27-17-11-18(24)23-21(26)20(14)17/h1-8,10,17,20H,9,11H2,(H,23,24,26)
InChIKeyYMALDJWTEBCMOU-UHFFFAOYSA-N
XLogP2.55
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(2-fluorophenyl)phenyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317021
5-[[4-(2-fluorophenyl)phenyl]methyl]-4a,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 59304765
ethyl 4-(2-fluorophenyl)-7-methoxy-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 24965646
ethane;5-[[4-(2-fluorophenyl)phenyl]methyl]-4a,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 143674446

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-fluorophenyl)phenyl]methyl]-8,8a-dihydro-4aH-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-[[4-(2-fluorophenyl)phenyl]methyl]-8,8a-dihydro-4aH-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317145) is 4-[[4-(2-fluorophenyl)phenyl]methyl]-8,8a-dihydro-4aH-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-[[4-(2-fluorophenyl)phenyl]methyl]-8,8a-dihydro-4aH-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-[[4-(2-fluorophenyl)phenyl]methyl]-8,8a-dihydro-4aH-pyrano[3,2-c]pyridine-2,5,7-trione is O=C1CC2OC(=O)C=C(Cc3ccc(-c4ccccc4F)cc3)C2C(=O)N1.
What is the InChIKey of 4-[[4-(2-fluorophenyl)phenyl]methyl]-8,8a-dihydro-4aH-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is YMALDJWTEBCMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO4/c22-16-4-2-1-3-15(16)13-7-5-12(6-8-13)9-14-10-19(25)27-17-11-18(24)23-21(26)20(14)17/h1-8,10,17,20H,9,11H2,(H,23,24,26).
What are the key properties of 4-[[4-(2-fluorophenyl)phenyl]methyl]-8,8a-dihydro-4aH-pyrano[3,2-c]pyridine-2,5,7-trione?
4-[[4-(2-fluorophenyl)phenyl]methyl]-8,8a-dihydro-4aH-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 365.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-fluorophenyl)phenyl]methyl]-8,8a-dihydro-4aH-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).