1-(4-fluorophenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butane-1,4-dione

C21H20FNO2 — CID 8024708

IUPAC1-(4-fluorophenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butane-1,4-dione
SMILESO=C(CCC(=O)N1CC=C(c2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H20FNO2/c22-19-8-6-18(7-9-19)20(24)10-11-21(25)23-14-12-17(13-15-23)16-4-2-1-3-5-16/h1-9,12H,10-11,13-15H2
InChIKeySNZNWHNOYQSUQT-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.10
Rot. Bonds5

About 1-(4-fluorophenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butane-1,4-dione

1-(4-fluorophenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butane-1,4-dione (PubChem CID 8024708) has the molecular formula C21H20FNO2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butane-1,4-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butane-1,4-dione
PubChem CID8024708
Molecular FormulaC21H20FNO2
Molecular Weight337.39 g/mol
Exact Mass337.15
IUPAC Name1-(4-fluorophenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butane-1,4-dione
SMILESO=C(CCC(=O)N1CC=C(c2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H20FNO2/c22-19-8-6-18(7-9-19)20(24)10-11-21(25)23-14-12-17(13-15-23)16-4-2-1-3-5-16/h1-9,12H,10-11,13-15H2
InChIKeySNZNWHNOYQSUQT-UHFFFAOYSA-N
XLogP4.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butane-1,4-dione?
The IUPAC name of 1-(4-fluorophenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butane-1,4-dione (CID 8024708) is 1-(4-fluorophenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butane-1,4-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butane-1,4-dione?
The canonical SMILES for 1-(4-fluorophenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butane-1,4-dione is O=C(CCC(=O)N1CC=C(c2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butane-1,4-dione?
The InChIKey is SNZNWHNOYQSUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO2/c22-19-8-6-18(7-9-19)20(24)10-11-21(25)23-14-12-17(13-15-23)16-4-2-1-3-5-16/h1-9,12H,10-11,13-15H2.
What are the key properties of 1-(4-fluorophenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butane-1,4-dione?
1-(4-fluorophenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butane-1,4-dione has a molecular weight of 337.39 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butane-1,4-dione is sourced from PubChem (CID 8024708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).