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

C20H23FN2O — CID 110447601

IUPAC1-[5-[5-(4-aminobutan-2-yl)-2-fluorophenyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(-c3cc(C(C)CCN)ccc3F)ccc21
InChIInChI=1S/C20H23FN2O/c1-13(7-9-22)15-3-5-19(21)18(12-15)16-4-6-20-17(11-16)8-10-23(20)14(2)24/h3-6,11-13H,7-10,22H2,1-2H3
InChIKeyBOLUFJPIXFIHPZ-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.85
Rot. Bonds4

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

1-[5-[5-(4-aminobutan-2-yl)-2-fluorophenyl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 110447601) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-[5-[5-(4-aminobutan-2-yl)-2-fluorophenyl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[5-(4-aminobutan-2-yl)-2-fluorophenyl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID110447601
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name1-[5-[5-(4-aminobutan-2-yl)-2-fluorophenyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(-c3cc(C(C)CCN)ccc3F)ccc21
InChIInChI=1S/C20H23FN2O/c1-13(7-9-22)15-3-5-19(21)18(12-15)16-4-6-20-17(11-16)8-10-23(20)14(2)24/h3-6,11-13H,7-10,22H2,1-2H3
InChIKeyBOLUFJPIXFIHPZ-UHFFFAOYSA-N
XLogP3.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-[5-(4-aminobutan-2-yl)-2-methoxyphenyl]-2,3-dihydroindol-1-yl]ethanone
CID 110447602
1-acetyl-N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 24532068
1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
CID 63253957
1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 120583725
1-acetyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 55913793
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one
CID 82540699
N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-3,4-dihydroxybutyl]acetamide
CID 171883884
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
CID 82540698
4-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]-3-methylbutanoic acid
CID 110447520
(1-acetyl-2,3-dihydroindol-5-yl)sulfonylformamide
CID 117038028
1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide
CID 119259829
1-acetyl-N-(4-butan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 24509967

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(4-aminobutan-2-yl)-2-fluorophenyl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[5-(4-aminobutan-2-yl)-2-fluorophenyl]-2,3-dihydroindol-1-yl]ethanone (CID 110447601) is 1-[5-[5-(4-aminobutan-2-yl)-2-fluorophenyl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[5-(4-aminobutan-2-yl)-2-fluorophenyl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[5-(4-aminobutan-2-yl)-2-fluorophenyl]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(-c3cc(C(C)CCN)ccc3F)ccc21.
What is the InChIKey of 1-[5-[5-(4-aminobutan-2-yl)-2-fluorophenyl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is BOLUFJPIXFIHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-13(7-9-22)15-3-5-19(21)18(12-15)16-4-6-20-17(11-16)8-10-23(20)14(2)24/h3-6,11-13H,7-10,22H2,1-2H3.
What are the key properties of 1-[5-[5-(4-aminobutan-2-yl)-2-fluorophenyl]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[5-(4-aminobutan-2-yl)-2-fluorophenyl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 326.42 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(4-aminobutan-2-yl)-2-fluorophenyl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 110447601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).