1-benzyl-4-(4-fluorophenyl)-2,6-dihydropyridin-3-one

C18H16FNO — CID 101414861

IUPAC1-benzyl-4-(4-fluorophenyl)-2,6-dihydropyridin-3-one
SMILESO=C1CN(Cc2ccccc2)CC=C1c1ccc(F)cc1
InChIInChI=1S/C18H16FNO/c19-16-8-6-15(7-9-16)17-10-11-20(13-18(17)21)12-14-4-2-1-3-5-14/h1-10H,11-13H2
InChIKeyNAJGSIUVRHFSKZ-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.29
Rot. Bonds3

About 1-benzyl-4-(4-fluorophenyl)-2,6-dihydropyridin-3-one

1-benzyl-4-(4-fluorophenyl)-2,6-dihydropyridin-3-one (PubChem CID 101414861) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-benzyl-4-(4-fluorophenyl)-2,6-dihydropyridin-3-one.

Molecular Properties

Compound Name1-benzyl-4-(4-fluorophenyl)-2,6-dihydropyridin-3-one
PubChem CID101414861
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name1-benzyl-4-(4-fluorophenyl)-2,6-dihydropyridin-3-one
SMILESO=C1CN(Cc2ccccc2)CC=C1c1ccc(F)cc1
InChIInChI=1S/C18H16FNO/c19-16-8-6-15(7-9-16)17-10-11-20(13-18(17)21)12-14-4-2-1-3-5-14/h1-10H,11-13H2
InChIKeyNAJGSIUVRHFSKZ-UHFFFAOYSA-N
XLogP3.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-4-(4-fluorophenyl)-2,6-dihydropyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aS,6aR)-2-benzyl-5-(4-fluorophenyl)-1,3,3a,6a-tetrahydrocyclopenta[c]pyrrol-4-one
CID 69029092
2-benzyl-6,8-difluoro-1,3-dihydroisoquinolin-4-one
CID 167494495
1-benzyl-4-[2-(4-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 54324538
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-fluorophenyl)ethanol
CID 21403014
1-[(4-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine
CID 67583405
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)cyclohex-2-en-1-one
CID 67129694
4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol
CID 6456261
2-benzyl-5-fluoro-1,3-dihydroisoindole;hydrochloride
CID 162343848
2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 3353508
1-benzyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-2,6-dihydropyridin-3-one
CID 123613004
8-benzyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 12832700

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-fluorophenyl)-2,6-dihydropyridin-3-one?
The IUPAC name of 1-benzyl-4-(4-fluorophenyl)-2,6-dihydropyridin-3-one (CID 101414861) is 1-benzyl-4-(4-fluorophenyl)-2,6-dihydropyridin-3-one.
What is the SMILES notation for 1-benzyl-4-(4-fluorophenyl)-2,6-dihydropyridin-3-one?
The canonical SMILES for 1-benzyl-4-(4-fluorophenyl)-2,6-dihydropyridin-3-one is O=C1CN(Cc2ccccc2)CC=C1c1ccc(F)cc1.
What is the InChIKey of 1-benzyl-4-(4-fluorophenyl)-2,6-dihydropyridin-3-one?
The InChIKey is NAJGSIUVRHFSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c19-16-8-6-15(7-9-16)17-10-11-20(13-18(17)21)12-14-4-2-1-3-5-14/h1-10H,11-13H2.
What are the key properties of 1-benzyl-4-(4-fluorophenyl)-2,6-dihydropyridin-3-one?
1-benzyl-4-(4-fluorophenyl)-2,6-dihydropyridin-3-one has a molecular weight of 281.33 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-fluorophenyl)-2,6-dihydropyridin-3-one is sourced from PubChem (CID 101414861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).