1-[1-[(3,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone

C17H15F2NO — CID 102662248

IUPAC1-[1-[(3,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCN2Cc1ccc(F)c(F)c1
InChIInChI=1S/C17H15F2NO/c1-11(21)13-3-5-17-14(9-13)6-7-20(17)10-12-2-4-15(18)16(19)8-12/h2-5,8-9H,6-7,10H2,1H3
InChIKeyUHDRNLZNIUBBIG-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.73
Rot. Bonds3

About 1-[1-[(3,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone

1-[1-[(3,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone (PubChem CID 102662248) has the molecular formula C17H15F2NO and a molecular weight of 287.31 g/mol. Its IUPAC name is 1-[1-[(3,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(3,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
PubChem CID102662248
Molecular FormulaC17H15F2NO
Molecular Weight287.31 g/mol
Exact Mass287.11
IUPAC Name1-[1-[(3,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCN2Cc1ccc(F)c(F)c1
InChIInChI=1S/C17H15F2NO/c1-11(21)13-3-5-17-14(9-13)6-7-20(17)10-12-2-4-15(18)16(19)8-12/h2-5,8-9H,6-7,10H2,1H3
InChIKeyUHDRNLZNIUBBIG-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-bromophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
CID 102662471
1-[1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
CID 102662285
1-(1-butyl-2,3-dihydroindol-5-yl)ethanone
CID 102662303
3-(5-acetyl-2,3-dihydroindol-1-yl)-2-methylpropanoic acid
CID 82316589
1-[1-(2-bromoprop-2-enyl)-2,3-dihydroindol-5-yl]ethanone
CID 102662312
4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide
CID 71812022
4-[(5-carbamoyl-2,3-dihydroindol-1-yl)methyl]benzoyl iodide
CID 90075277
1-[1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanone
CID 102662460
1-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662618
2-(5-acetyl-2,3-dihydroindol-1-yl)-N-cyclopropylacetamide
CID 102662276
2-(5-acetyl-2,3-dihydroindol-1-yl)-N-propylacetamide
CID 102662362
ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
CID 91428758

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone?
The IUPAC name of 1-[1-[(3,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone (CID 102662248) is 1-[1-[(3,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone.
What is the SMILES notation for 1-[1-[(3,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone?
The canonical SMILES for 1-[1-[(3,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone is CC(=O)c1ccc2c(c1)CCN2Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-[1-[(3,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone?
The InChIKey is UHDRNLZNIUBBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO/c1-11(21)13-3-5-17-14(9-13)6-7-20(17)10-12-2-4-15(18)16(19)8-12/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of 1-[1-[(3,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone?
1-[1-[(3,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone has a molecular weight of 287.31 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone is sourced from PubChem (CID 102662248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).