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

C17H15BrFNO — CID 102662285

IUPAC1-[1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCN2Cc1ccc(Br)cc1F
InChIInChI=1S/C17H15BrFNO/c1-11(21)12-3-5-17-13(8-12)6-7-20(17)10-14-2-4-15(18)9-16(14)19/h2-5,8-9H,6-7,10H2,1H3
InChIKeyUFNQOZHUBSWXGK-UHFFFAOYSA-N
MW348.22 g/mol
LogP4.35
Rot. Bonds3

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

1-[1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone (PubChem CID 102662285) has the molecular formula C17H15BrFNO and a molecular weight of 348.22 g/mol. Its IUPAC name is 1-[1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
PubChem CID102662285
Molecular FormulaC17H15BrFNO
Molecular Weight348.22 g/mol
Exact Mass347.03
IUPAC Name1-[1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCN2Cc1ccc(Br)cc1F
InChIInChI=1S/C17H15BrFNO/c1-11(21)12-3-5-17-13(8-12)6-7-20(17)10-14-2-4-15(18)9-16(14)19/h2-5,8-9H,6-7,10H2,1H3
InChIKeyUFNQOZHUBSWXGK-UHFFFAOYSA-N
XLogP4.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone?
The IUPAC name of 1-[1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone (CID 102662285) is 1-[1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone.
What is the SMILES notation for 1-[1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone?
The canonical SMILES for 1-[1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone is CC(=O)c1ccc2c(c1)CCN2Cc1ccc(Br)cc1F.
What is the InChIKey of 1-[1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone?
The InChIKey is UFNQOZHUBSWXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO/c1-11(21)12-3-5-17-13(8-12)6-7-20(17)10-14-2-4-15(18)9-16(14)19/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of 1-[1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone?
1-[1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone has a molecular weight of 348.22 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone is sourced from PubChem (CID 102662285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).