1-(7-fluoro-2,3-dihydroindol-1-yl)-3-phenoxypropan-1-one

C17H16FNO2 — CID 110725149

IUPAC1-(7-fluoro-2,3-dihydroindol-1-yl)-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCc2cccc(F)c21
InChIInChI=1S/C17H16FNO2/c18-15-8-4-5-13-9-11-19(17(13)15)16(20)10-12-21-14-6-2-1-3-7-14/h1-8H,9-12H2
InChIKeyLGHPRBNFJZBNMM-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.18
Rot. Bonds4

About 1-(7-fluoro-2,3-dihydroindol-1-yl)-3-phenoxypropan-1-one

1-(7-fluoro-2,3-dihydroindol-1-yl)-3-phenoxypropan-1-one (PubChem CID 110725149) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-(7-fluoro-2,3-dihydroindol-1-yl)-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-(7-fluoro-2,3-dihydroindol-1-yl)-3-phenoxypropan-1-one
PubChem CID110725149
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name1-(7-fluoro-2,3-dihydroindol-1-yl)-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCc2cccc(F)c21
InChIInChI=1S/C17H16FNO2/c18-15-8-4-5-13-9-11-19(17(13)15)16(20)10-12-21-14-6-2-1-3-7-14/h1-8H,9-12H2
InChIKeyLGHPRBNFJZBNMM-UHFFFAOYSA-N
XLogP3.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethoxyphenyl)-1-(7-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 110743982
methyl 7-fluoro-2,3-dihydroindole-1-carboxylate
CID 110725158
1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-3-phenoxypropan-1-one
CID 110715196
1-(6-nitro-2,3-dihydroindol-1-yl)-3-phenoxypropan-1-one
CID 37163328
1-(4-hydroxyiminopiperidin-1-yl)-3-phenoxypropan-1-one
CID 24700835
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
N-(2-fluorophenyl)-4-(3-phenoxypropanoyl)-1,4-diazepane-1-carboxamide
CID 138381456
2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549375
1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 112507736
3-[2-fluoro-4-[[1-(3-piperidin-1-ylpropanoyl)-2,3-dihydroindol-7-yl]methoxy]phenyl]propanoic acid
CID 59369161
[3-(dimethylamino)phenyl]-(7-fluoro-2,3-dihydroindol-1-yl)methanone
CID 110743992

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-2,3-dihydroindol-1-yl)-3-phenoxypropan-1-one?
The IUPAC name of 1-(7-fluoro-2,3-dihydroindol-1-yl)-3-phenoxypropan-1-one (CID 110725149) is 1-(7-fluoro-2,3-dihydroindol-1-yl)-3-phenoxypropan-1-one.
What is the SMILES notation for 1-(7-fluoro-2,3-dihydroindol-1-yl)-3-phenoxypropan-1-one?
The canonical SMILES for 1-(7-fluoro-2,3-dihydroindol-1-yl)-3-phenoxypropan-1-one is O=C(CCOc1ccccc1)N1CCc2cccc(F)c21.
What is the InChIKey of 1-(7-fluoro-2,3-dihydroindol-1-yl)-3-phenoxypropan-1-one?
The InChIKey is LGHPRBNFJZBNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c18-15-8-4-5-13-9-11-19(17(13)15)16(20)10-12-21-14-6-2-1-3-7-14/h1-8H,9-12H2.
What are the key properties of 1-(7-fluoro-2,3-dihydroindol-1-yl)-3-phenoxypropan-1-one?
1-(7-fluoro-2,3-dihydroindol-1-yl)-3-phenoxypropan-1-one has a molecular weight of 285.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-2,3-dihydroindol-1-yl)-3-phenoxypropan-1-one is sourced from PubChem (CID 110725149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).