3-fluoro-1-[(4-methoxyphenyl)methyl]-2,5-dihydropyridin-6-one

C13H14FNO2 — CID 132544265

IUPAC3-fluoro-1-[(4-methoxyphenyl)methyl]-2,5-dihydropyridin-6-one
SMILESCOc1ccc(CN2CC(F)=CCC2=O)cc1
InChIInChI=1S/C13H14FNO2/c1-17-12-5-2-10(3-6-12)8-15-9-11(14)4-7-13(15)16/h2-6H,7-9H2,1H3
InChIKeyDLOSGCHVVPNBAV-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.28
Rot. Bonds3

About 3-fluoro-1-[(4-methoxyphenyl)methyl]-2,5-dihydropyridin-6-one

3-fluoro-1-[(4-methoxyphenyl)methyl]-2,5-dihydropyridin-6-one (PubChem CID 132544265) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-fluoro-1-[(4-methoxyphenyl)methyl]-2,5-dihydropyridin-6-one.

Molecular Properties

Compound Name3-fluoro-1-[(4-methoxyphenyl)methyl]-2,5-dihydropyridin-6-one
PubChem CID132544265
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name3-fluoro-1-[(4-methoxyphenyl)methyl]-2,5-dihydropyridin-6-one
SMILESCOc1ccc(CN2CC(F)=CCC2=O)cc1
InChIInChI=1S/C13H14FNO2/c1-17-12-5-2-10(3-6-12)8-15-9-11(14)4-7-13(15)16/h2-6H,7-9H2,1H3
InChIKeyDLOSGCHVVPNBAV-UHFFFAOYSA-N
XLogP2.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 4868340
1-(4-Methoxybenzyl)azepane
CID 763595
2,4(1H,3H)-Pyrimidinedione, dihydro-1-((4-methoxyphenyl)methyl)-
CID 148737
1-(2-(4-methoxyphenyl)ethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 2392392
N,N-Diethyl-para-anisamide
CID 231459
1-(4-methoxyphenyl)-N-methylmethanamine
CID 485407
N-(4-benzyloxybenzyl)acetohydroxamic acid
CID 129265
N-(4-methoxybenzyl)oleamide
CID 11502240
N-((4-methoxyphenyl)methyl)acetamide
CID 37050
1-[4-(4-Methoxy-benzyl)-piperazin-1-yl]-3-methyl-butan-1-one
CID 742519
2-ethyl-N-(4-methoxybenzyl)butanamide
CID 882141
N-(4-butoxybenzyl)formamide
CID 137313

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[(4-methoxyphenyl)methyl]-2,5-dihydropyridin-6-one?
The IUPAC name of 3-fluoro-1-[(4-methoxyphenyl)methyl]-2,5-dihydropyridin-6-one (CID 132544265) is 3-fluoro-1-[(4-methoxyphenyl)methyl]-2,5-dihydropyridin-6-one.
What is the SMILES notation for 3-fluoro-1-[(4-methoxyphenyl)methyl]-2,5-dihydropyridin-6-one?
The canonical SMILES for 3-fluoro-1-[(4-methoxyphenyl)methyl]-2,5-dihydropyridin-6-one is COc1ccc(CN2CC(F)=CCC2=O)cc1.
What is the InChIKey of 3-fluoro-1-[(4-methoxyphenyl)methyl]-2,5-dihydropyridin-6-one?
The InChIKey is DLOSGCHVVPNBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-17-12-5-2-10(3-6-12)8-15-9-11(14)4-7-13(15)16/h2-6H,7-9H2,1H3.
What are the key properties of 3-fluoro-1-[(4-methoxyphenyl)methyl]-2,5-dihydropyridin-6-one?
3-fluoro-1-[(4-methoxyphenyl)methyl]-2,5-dihydropyridin-6-one has a molecular weight of 235.26 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[(4-methoxyphenyl)methyl]-2,5-dihydropyridin-6-one is sourced from PubChem (CID 132544265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).