4-acetyl-3,3-difluoro-1H-indol-2-one;1,3-dihydroindol-2-one

C18H14F2N2O3 — CID 157257812

IUPAC4-acetyl-3,3-difluoro-1H-indol-2-one;1,3-dihydroindol-2-one
SMILESCC(=O)c1cccc2c1C(F)(F)C(=O)N2.O=C1Cc2ccccc2N1
InChIInChI=1S/C10H7F2NO2.C8H7NO/c1-5(14)6-3-2-4-7-8(6)10(11,12)9(15)13-7;10-8-5-6-3-1-2-4-7(6)9-8/h2-4H,1H3,(H,13,15);1-4H,5H2,(H,9,10)
InChIKeyAXCCPUKTKFTSFD-UHFFFAOYSA-N
MW344.32 g/mol
LogP3.11
Rot. Bonds1

About 4-acetyl-3,3-difluoro-1H-indol-2-one;1,3-dihydroindol-2-one

4-acetyl-3,3-difluoro-1H-indol-2-one;1,3-dihydroindol-2-one (PubChem CID 157257812) has the molecular formula C18H14F2N2O3 and a molecular weight of 344.32 g/mol. Its IUPAC name is 4-acetyl-3,3-difluoro-1H-indol-2-one;1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-acetyl-3,3-difluoro-1H-indol-2-one;1,3-dihydroindol-2-one
PubChem CID157257812
Molecular FormulaC18H14F2N2O3
Molecular Weight344.32 g/mol
Exact Mass344.10
IUPAC Name4-acetyl-3,3-difluoro-1H-indol-2-one;1,3-dihydroindol-2-one
SMILESCC(=O)c1cccc2c1C(F)(F)C(=O)N2.O=C1Cc2ccccc2N1
InChIInChI=1S/C10H7F2NO2.C8H7NO/c1-5(14)6-3-2-4-7-8(6)10(11,12)9(15)13-7;10-8-5-6-3-1-2-4-7(6)9-8/h2-4H,1H3,(H,13,15);1-4H,5H2,(H,9,10)
InChIKeyAXCCPUKTKFTSFD-UHFFFAOYSA-N
XLogP3.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-acetyl-3,3-difluoro-1H-indol-2-one;1,3-dihydroindol-2-one with MolForge

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Related Compounds

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CID 158067424
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CID 66960013
1,3-dihydroindol-2-one;sulfamide
CID 160648154
1,3-dihydroindol-2-one;2-hydroxybutanedioic acid
CID 66903255
1,3-dihydroindol-2-one;imidazolidin-2-one
CID 70182850
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CID 57475445
3,4-dihydro-1H-quinolin-2-one;ethane
CID 90913605
1,3-dihydroindol-2-one;pyrrolo[3,2-b]pyrrole
CID 175423185
2-oxo-2-(2-oxo-1,3-dihydroindol-7-yl)acetic acid
CID 117293086
3-methyl-2-oxo-1,4-dihydroquinoline-3-carboxylic acid
CID 19820541
4-bromo-3,3-difluoro-1H-indol-2-one
CID 66815517

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3,3-difluoro-1H-indol-2-one;1,3-dihydroindol-2-one?
The IUPAC name of 4-acetyl-3,3-difluoro-1H-indol-2-one;1,3-dihydroindol-2-one (CID 157257812) is 4-acetyl-3,3-difluoro-1H-indol-2-one;1,3-dihydroindol-2-one.
What is the SMILES notation for 4-acetyl-3,3-difluoro-1H-indol-2-one;1,3-dihydroindol-2-one?
The canonical SMILES for 4-acetyl-3,3-difluoro-1H-indol-2-one;1,3-dihydroindol-2-one is CC(=O)c1cccc2c1C(F)(F)C(=O)N2.O=C1Cc2ccccc2N1.
What is the InChIKey of 4-acetyl-3,3-difluoro-1H-indol-2-one;1,3-dihydroindol-2-one?
The InChIKey is AXCCPUKTKFTSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO2.C8H7NO/c1-5(14)6-3-2-4-7-8(6)10(11,12)9(15)13-7;10-8-5-6-3-1-2-4-7(6)9-8/h2-4H,1H3,(H,13,15);1-4H,5H2,(H,9,10).
What are the key properties of 4-acetyl-3,3-difluoro-1H-indol-2-one;1,3-dihydroindol-2-one?
4-acetyl-3,3-difluoro-1H-indol-2-one;1,3-dihydroindol-2-one has a molecular weight of 344.32 g/mol, XLogP of 3.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3,3-difluoro-1H-indol-2-one;1,3-dihydroindol-2-one is sourced from PubChem (CID 157257812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).