2-(4-benzoylphenoxy)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C26H22FNO3 — CID 112800392

IUPAC2-(4-benzoylphenoxy)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESO=C(c1ccccc1)c1ccc(OCC(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C26H22FNO3/c27-23-10-6-19(7-11-23)20-14-16-28(17-15-20)25(29)18-31-24-12-8-22(9-13-24)26(30)21-4-2-1-3-5-21/h1-14H,15-18H2
InChIKeyIRHYRYBHYANEQG-UHFFFAOYSA-N
MW415.46 g/mol
LogP4.75
Rot. Bonds6

About 2-(4-benzoylphenoxy)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

2-(4-benzoylphenoxy)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 112800392) has the molecular formula C26H22FNO3 and a molecular weight of 415.46 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID112800392
Molecular FormulaC26H22FNO3
Molecular Weight415.46 g/mol
Exact Mass415.16
IUPAC Name2-(4-benzoylphenoxy)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESO=C(c1ccccc1)c1ccc(OCC(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C26H22FNO3/c27-23-10-6-19(7-11-23)20-14-16-28(17-15-20)25(29)18-31-24-12-8-22(9-13-24)26(30)21-4-2-1-3-5-21/h1-14H,15-18H2
InChIKeyIRHYRYBHYANEQG-UHFFFAOYSA-N
XLogP4.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azocan-1-yl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone
CID 55397362
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-phenoxyacetate
CID 9018269
2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone
CID 167771023
2-[4-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid
CID 22399409
2-(3-methyl-4-nitrophenoxy)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 8647892
2-(4-benzoylphenoxy)-1-(1,4-diazepan-1-yl)ethanone
CID 119415956
2-(4-benzoylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119578085
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] acetate
CID 140988563
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,6-difluorobenzoate
CID 9203305
2-[4-[1-(4-fluorobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]-2-methylpropanoic acid
CID 22399096
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(2-chloro-4-fluorophenoxy)acetate
CID 8565655

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2-(4-benzoylphenoxy)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 112800392) is 2-(4-benzoylphenoxy)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2-(4-benzoylphenoxy)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2-(4-benzoylphenoxy)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is O=C(c1ccccc1)c1ccc(OCC(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 2-(4-benzoylphenoxy)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is IRHYRYBHYANEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FNO3/c27-23-10-6-19(7-11-23)20-14-16-28(17-15-20)25(29)18-31-24-12-8-22(9-13-24)26(30)21-4-2-1-3-5-21/h1-14H,15-18H2.
What are the key properties of 2-(4-benzoylphenoxy)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2-(4-benzoylphenoxy)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 415.46 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 112800392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).