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

C17H16FNO — CID 62619215

IUPAC3-(1,3-dihydroisoindol-2-yl)-1-(3-fluorophenyl)propan-1-one
SMILESO=C(CCN1Cc2ccccc2C1)c1cccc(F)c1
InChIInChI=1S/C17H16FNO/c18-16-7-3-6-13(10-16)17(20)8-9-19-11-14-4-1-2-5-15(14)12-19/h1-7,10H,8-9,11-12H2
InChIKeySLXLHNXNXHUALF-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.41
Rot. Bonds4

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

3-(1,3-dihydroisoindol-2-yl)-1-(3-fluorophenyl)propan-1-one (PubChem CID 62619215) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-(1,3-dihydroisoindol-2-yl)-1-(3-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(1,3-dihydroisoindol-2-yl)-1-(3-fluorophenyl)propan-1-one
PubChem CID62619215
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name3-(1,3-dihydroisoindol-2-yl)-1-(3-fluorophenyl)propan-1-one
SMILESO=C(CCN1Cc2ccccc2C1)c1cccc(F)c1
InChIInChI=1S/C17H16FNO/c18-16-7-3-6-13(10-16)17(20)8-9-19-11-14-4-1-2-5-15(14)12-19/h1-7,10H,8-9,11-12H2
InChIKeySLXLHNXNXHUALF-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 62618338
3-(3,4-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 79183544
3-(4-benzylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 10294335
3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 62643546
3-fluoro-1-(3-fluorophenyl)propan-1-one
CID 56986088
1-(3-fluorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 63972803
1-(1,3-benzoxathiol-6-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one
CID 163204392
4-[2-(3-fluorophenyl)-2-oxoethyl]piperazine-2,6-dione
CID 66083375
1-(3-fluorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one
CID 62643371
3-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)propan-1-one
CID 2758695
1-(3-fluorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207392
1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007220

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-1-(3-fluorophenyl)propan-1-one?
The IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-1-(3-fluorophenyl)propan-1-one (CID 62619215) is 3-(1,3-dihydroisoindol-2-yl)-1-(3-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-(1,3-dihydroisoindol-2-yl)-1-(3-fluorophenyl)propan-1-one?
The canonical SMILES for 3-(1,3-dihydroisoindol-2-yl)-1-(3-fluorophenyl)propan-1-one is O=C(CCN1Cc2ccccc2C1)c1cccc(F)c1.
What is the InChIKey of 3-(1,3-dihydroisoindol-2-yl)-1-(3-fluorophenyl)propan-1-one?
The InChIKey is SLXLHNXNXHUALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c18-16-7-3-6-13(10-16)17(20)8-9-19-11-14-4-1-2-5-15(14)12-19/h1-7,10H,8-9,11-12H2.
What are the key properties of 3-(1,3-dihydroisoindol-2-yl)-1-(3-fluorophenyl)propan-1-one?
3-(1,3-dihydroisoindol-2-yl)-1-(3-fluorophenyl)propan-1-one has a molecular weight of 269.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroisoindol-2-yl)-1-(3-fluorophenyl)propan-1-one is sourced from PubChem (CID 62619215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).