2-(2,3-difluorophenyl)-1-(3-pyridin-4-ylazetidin-1-yl)ethanone

C16H14F2N2O — CID 56911803

IUPAC2-(2,3-difluorophenyl)-1-(3-pyridin-4-ylazetidin-1-yl)ethanone
SMILESO=C(Cc1cccc(F)c1F)N1CC(c2ccncc2)C1
InChIInChI=1S/C16H14F2N2O/c17-14-3-1-2-12(16(14)18)8-15(21)20-9-13(10-20)11-4-6-19-7-5-11/h1-7,13H,8-10H2
InChIKeyDNCXBPDKADCPPG-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.53
Rot. Bonds3

About 2-(2,3-difluorophenyl)-1-(3-pyridin-4-ylazetidin-1-yl)ethanone

2-(2,3-difluorophenyl)-1-(3-pyridin-4-ylazetidin-1-yl)ethanone (PubChem CID 56911803) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-(3-pyridin-4-ylazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-(3-pyridin-4-ylazetidin-1-yl)ethanone
PubChem CID56911803
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-(2,3-difluorophenyl)-1-(3-pyridin-4-ylazetidin-1-yl)ethanone
SMILESO=C(Cc1cccc(F)c1F)N1CC(c2ccncc2)C1
InChIInChI=1S/C16H14F2N2O/c17-14-3-1-2-12(16(14)18)8-15(21)20-9-13(10-20)11-4-6-19-7-5-11/h1-7,13H,8-10H2
InChIKeyDNCXBPDKADCPPG-UHFFFAOYSA-N
XLogP2.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluorophenyl)-1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]ethanone
CID 131947333
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2,3-difluorophenyl)ethanone
CID 81469146
2-(2,3-difluorophenyl)-1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 70747806
(3S)-1-[2-(2,3-difluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 81126045
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2,3-difluorophenyl)ethanone;hydrochloride
CID 119934481
1-[2-(2,3-difluorophenyl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 120528129
(1R,5S)-3-[2-(2,3-difluorophenyl)acetyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135106191
1-[(3aR,7aS)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-2-(2,3-difluorophenyl)ethanone
CID 91786878
1-(2,3-difluorophenyl)-3-pyridin-4-ylpropan-2-one
CID 62622512
2-(2,3-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119402946
2-(2,3-difluorophenyl)-1-[(3S,4R)-3-(hydroxymethyl)-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 120581505
2-(2,3-difluorophenyl)-1-[4-(2-methylsulfanylacetyl)-1,4-diazepan-1-yl]ethanone
CID 137344531

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-(3-pyridin-4-ylazetidin-1-yl)ethanone?
The IUPAC name of 2-(2,3-difluorophenyl)-1-(3-pyridin-4-ylazetidin-1-yl)ethanone (CID 56911803) is 2-(2,3-difluorophenyl)-1-(3-pyridin-4-ylazetidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-(3-pyridin-4-ylazetidin-1-yl)ethanone?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-(3-pyridin-4-ylazetidin-1-yl)ethanone is O=C(Cc1cccc(F)c1F)N1CC(c2ccncc2)C1.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-(3-pyridin-4-ylazetidin-1-yl)ethanone?
The InChIKey is DNCXBPDKADCPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c17-14-3-1-2-12(16(14)18)8-15(21)20-9-13(10-20)11-4-6-19-7-5-11/h1-7,13H,8-10H2.
What are the key properties of 2-(2,3-difluorophenyl)-1-(3-pyridin-4-ylazetidin-1-yl)ethanone?
2-(2,3-difluorophenyl)-1-(3-pyridin-4-ylazetidin-1-yl)ethanone has a molecular weight of 288.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-(3-pyridin-4-ylazetidin-1-yl)ethanone is sourced from PubChem (CID 56911803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).