2-(4-ethoxyphenyl)-1-(7-fluoro-2,3-dihydroindol-1-yl)ethanone

C18H18FNO2 — CID 110743982

IUPAC2-(4-ethoxyphenyl)-1-(7-fluoro-2,3-dihydroindol-1-yl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCc3cccc(F)c32)cc1
InChIInChI=1S/C18H18FNO2/c1-2-22-15-8-6-13(7-9-15)12-17(21)20-11-10-14-4-3-5-16(19)18(14)20/h3-9H,2,10-12H2,1H3
InChIKeyHJLSHHPMXDLJRQ-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.36
Rot. Bonds4

About 2-(4-ethoxyphenyl)-1-(7-fluoro-2,3-dihydroindol-1-yl)ethanone

2-(4-ethoxyphenyl)-1-(7-fluoro-2,3-dihydroindol-1-yl)ethanone (PubChem CID 110743982) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-(7-fluoro-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-(7-fluoro-2,3-dihydroindol-1-yl)ethanone
PubChem CID110743982
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name2-(4-ethoxyphenyl)-1-(7-fluoro-2,3-dihydroindol-1-yl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCc3cccc(F)c32)cc1
InChIInChI=1S/C18H18FNO2/c1-2-22-15-8-6-13(7-9-15)12-17(21)20-11-10-14-4-3-5-16(19)18(14)20/h3-9H,2,10-12H2,1H3
InChIKeyHJLSHHPMXDLJRQ-UHFFFAOYSA-N
XLogP3.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethoxyphenyl)-1-[8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 138055054
1-(7-fluoro-2,3-dihydroindol-1-yl)-3-phenoxypropan-1-one
CID 110725149
methyl 7-fluoro-2,3-dihydroindole-1-carboxylate
CID 110725158
2-(4-ethoxyphenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110636961
1-(7-amino-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
CID 114455761
3-[4-[[1-[2-[4-(dimethylamino)phenyl]acetyl]-2,3-dihydroindol-7-yl]methoxy]-2-fluorophenyl]propanal
CID 89062978
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-ethoxyphenyl)propanamide
CID 112537173
2-(4-ethoxyphenyl)-1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]ethanone
CID 110638301
2-(4-ethoxyphenyl)-1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 110411560
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578
2-(4-ethoxyphenyl)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]ethanone
CID 110293051
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(4-ethoxyphenyl)acetamide
CID 110370885

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-(7-fluoro-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-(7-fluoro-2,3-dihydroindol-1-yl)ethanone (CID 110743982) is 2-(4-ethoxyphenyl)-1-(7-fluoro-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-(7-fluoro-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-(7-fluoro-2,3-dihydroindol-1-yl)ethanone is CCOc1ccc(CC(=O)N2CCc3cccc(F)c32)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-(7-fluoro-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is HJLSHHPMXDLJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-2-22-15-8-6-13(7-9-15)12-17(21)20-11-10-14-4-3-5-16(19)18(14)20/h3-9H,2,10-12H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-(7-fluoro-2,3-dihydroindol-1-yl)ethanone?
2-(4-ethoxyphenyl)-1-(7-fluoro-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 299.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-(7-fluoro-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 110743982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).