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

C20H19NO2 — CID 102228045

IUPAC6-(4-acetylphenyl)-1-benzyl-2,3-dihydropyridin-4-one
SMILESCC(=O)c1ccc(C2=CC(=O)CCN2Cc2ccccc2)cc1
InChIInChI=1S/C20H19NO2/c1-15(22)17-7-9-18(10-8-17)20-13-19(23)11-12-21(20)14-16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3
InChIKeyVEFKRGRADLNYGL-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.71
Rot. Bonds4

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

6-(4-acetylphenyl)-1-benzyl-2,3-dihydropyridin-4-one (PubChem CID 102228045) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 6-(4-acetylphenyl)-1-benzyl-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name6-(4-acetylphenyl)-1-benzyl-2,3-dihydropyridin-4-one
PubChem CID102228045
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name6-(4-acetylphenyl)-1-benzyl-2,3-dihydropyridin-4-one
SMILESCC(=O)c1ccc(C2=CC(=O)CCN2Cc2ccccc2)cc1
InChIInChI=1S/C20H19NO2/c1-15(22)17-7-9-18(10-8-17)20-13-19(23)11-12-21(20)14-16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3
InChIKeyVEFKRGRADLNYGL-UHFFFAOYSA-N
XLogP3.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-benzylphenyl)phenyl]ethanone
CID 67858865
1-[4-[(3-benzyl-1,3-oxazolidin-2-ylidene)amino]phenyl]ethanone
CID 11543886
1-(1-benzyl-2,3-dihydroindol-7-yl)ethanone
CID 115107236
1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone
CID 23383814
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
8-[(4-acetylphenyl)methyl]-4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one
CID 58245510
formaldehyde;1-(4-phenylphenyl)ethanone
CID 70138371
1-benzyl-5-oxo-2H-pyrrole-3-carboxylic acid
CID 141343948
1-(4-acetylphenyl)-3-(1-benzyl-5-oxopyrrolidin-3-yl)urea
CID 108876474
1-[4-[(3R,4S)-1-benzyl-4-hydroxypyrrolidin-3-yl]phenyl]ethanone
CID 134951863
2-benzyl-3-oxo-1H-isoindole-5-carboxylic acid
CID 67265769
methyl 2-(4-acetylphenyl)-1-benzylimidazole-4-carboxylate
CID 154708283

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylphenyl)-1-benzyl-2,3-dihydropyridin-4-one?
The IUPAC name of 6-(4-acetylphenyl)-1-benzyl-2,3-dihydropyridin-4-one (CID 102228045) is 6-(4-acetylphenyl)-1-benzyl-2,3-dihydropyridin-4-one.
What is the SMILES notation for 6-(4-acetylphenyl)-1-benzyl-2,3-dihydropyridin-4-one?
The canonical SMILES for 6-(4-acetylphenyl)-1-benzyl-2,3-dihydropyridin-4-one is CC(=O)c1ccc(C2=CC(=O)CCN2Cc2ccccc2)cc1.
What is the InChIKey of 6-(4-acetylphenyl)-1-benzyl-2,3-dihydropyridin-4-one?
The InChIKey is VEFKRGRADLNYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-15(22)17-7-9-18(10-8-17)20-13-19(23)11-12-21(20)14-16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3.
What are the key properties of 6-(4-acetylphenyl)-1-benzyl-2,3-dihydropyridin-4-one?
6-(4-acetylphenyl)-1-benzyl-2,3-dihydropyridin-4-one has a molecular weight of 305.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylphenyl)-1-benzyl-2,3-dihydropyridin-4-one is sourced from PubChem (CID 102228045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).