3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)propan-1-one

C17H16FNO — CID 62618338

IUPAC3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)propan-1-one
SMILESO=C(CCN1CCc2ccccc21)c1cccc(F)c1
InChIInChI=1S/C17H16FNO/c18-15-6-3-5-14(12-15)17(20)9-11-19-10-8-13-4-1-2-7-16(13)19/h1-7,12H,8-11H2
InChIKeyXJHHWBZNDKXORP-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.46
Rot. Bonds4

About 3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)propan-1-one

3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)propan-1-one (PubChem CID 62618338) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)propan-1-one
PubChem CID62618338
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)propan-1-one
SMILESO=C(CCN1CCc2ccccc21)c1cccc(F)c1
InChIInChI=1S/C17H16FNO/c18-15-6-3-5-14(12-15)17(20)9-11-19-10-8-13-4-1-2-7-16(13)19/h1-7,12H,8-11H2
InChIKeyXJHHWBZNDKXORP-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-fluorobenzamide
CID 112501997
3-(1,3-dihydroisoindol-2-yl)-1-(3-fluorophenyl)propan-1-one
CID 62619215
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
CID 6603016
1-(4-bromophenyl)-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103502441
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
3-(4-benzylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 10294335
3-bromo-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-fluorobenzamide
CID 110620208
3-(3,4-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 79183544
3-(6-fluoro-2,3-dihydroindol-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 103502450
3-fluoro-1-(3-fluorophenyl)propan-1-one
CID 56986088
3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 62644421
3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 62643546

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)propan-1-one?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)propan-1-one (CID 62618338) is 3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)propan-1-one?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)propan-1-one is O=C(CCN1CCc2ccccc21)c1cccc(F)c1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)propan-1-one?
The InChIKey is XJHHWBZNDKXORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c18-15-6-3-5-14(12-15)17(20)9-11-19-10-8-13-4-1-2-7-16(13)19/h1-7,12H,8-11H2.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)propan-1-one?
3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)propan-1-one has a molecular weight of 269.32 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)propan-1-one is sourced from PubChem (CID 62618338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).