2-(3-acetylphenoxy)-1-(5,7-difluoro-2,3-dihydroindol-1-yl)ethanone

C18H15F2NO3 — CID 71846325

IUPAC2-(3-acetylphenoxy)-1-(5,7-difluoro-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)c1cccc(OCC(=O)N2CCc3cc(F)cc(F)c32)c1
InChIInChI=1S/C18H15F2NO3/c1-11(22)12-3-2-4-15(8-12)24-10-17(23)21-6-5-13-7-14(19)9-16(20)18(13)21/h2-4,7-9H,5-6,10H2,1H3
InChIKeyIZZDKISUFUPRMJ-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.14
Rot. Bonds4

About 2-(3-acetylphenoxy)-1-(5,7-difluoro-2,3-dihydroindol-1-yl)ethanone

2-(3-acetylphenoxy)-1-(5,7-difluoro-2,3-dihydroindol-1-yl)ethanone (PubChem CID 71846325) has the molecular formula C18H15F2NO3 and a molecular weight of 331.32 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-1-(5,7-difluoro-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-1-(5,7-difluoro-2,3-dihydroindol-1-yl)ethanone
PubChem CID71846325
Molecular FormulaC18H15F2NO3
Molecular Weight331.32 g/mol
Exact Mass331.10
IUPAC Name2-(3-acetylphenoxy)-1-(5,7-difluoro-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)c1cccc(OCC(=O)N2CCc3cc(F)cc(F)c32)c1
InChIInChI=1S/C18H15F2NO3/c1-11(22)12-3-2-4-15(8-12)24-10-17(23)21-6-5-13-7-14(19)9-16(20)18(13)21/h2-4,7-9H,5-6,10H2,1H3
InChIKeyIZZDKISUFUPRMJ-UHFFFAOYSA-N
XLogP3.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2,3-dihydroindol-1-yl)-2-(3-fluorophenoxy)ethanone
CID 110714186
2-(3-acetylphenoxy)-1-morpholin-4-ylethanone
CID 685737
2-(3-acetylphenoxy)-1-(4-aminopiperidin-1-yl)ethanone
CID 119376034
1-[3-(3-aminopropoxy)phenyl]ethanone
CID 82146512
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7903078
2-(3-acetylphenoxy)-1-(1,4-diazepan-1-yl)ethanone
CID 119417714
2-(3-acetylphenoxy)-1-(2-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone
CID 71873906
(2R)-1-[2-(3-acetylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 119370741
1-(5-acetyl-2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)ethanone
CID 110737370
2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone
CID 120815322
(2R,3R)-1-[2-(3-acetylphenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122114832
2-(3-acetylphenoxy)-1-[3-(aminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119486393

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-1-(5,7-difluoro-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(3-acetylphenoxy)-1-(5,7-difluoro-2,3-dihydroindol-1-yl)ethanone (CID 71846325) is 2-(3-acetylphenoxy)-1-(5,7-difluoro-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(3-acetylphenoxy)-1-(5,7-difluoro-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(3-acetylphenoxy)-1-(5,7-difluoro-2,3-dihydroindol-1-yl)ethanone is CC(=O)c1cccc(OCC(=O)N2CCc3cc(F)cc(F)c32)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-1-(5,7-difluoro-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is IZZDKISUFUPRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO3/c1-11(22)12-3-2-4-15(8-12)24-10-17(23)21-6-5-13-7-14(19)9-16(20)18(13)21/h2-4,7-9H,5-6,10H2,1H3.
What are the key properties of 2-(3-acetylphenoxy)-1-(5,7-difluoro-2,3-dihydroindol-1-yl)ethanone?
2-(3-acetylphenoxy)-1-(5,7-difluoro-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 331.32 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-1-(5,7-difluoro-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 71846325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).