[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate

C19H18FNO3 — CID 24686584

IUPAC[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESCC1Cc2ccccc2N1C(=O)COC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C19H18FNO3/c1-13-10-15-4-2-3-5-17(15)21(13)18(22)12-24-19(23)11-14-6-8-16(20)9-7-14/h2-9,13H,10-12H2,1H3
InChIKeyRBEOEKWXIJZMAU-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.89
Rot. Bonds4

About [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate (PubChem CID 24686584) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate
PubChem CID24686584
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESCC1Cc2ccccc2N1C(=O)COC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C19H18FNO3/c1-13-10-15-4-2-3-5-17(15)21(13)18(22)12-24-19(23)11-14-6-8-16(20)9-7-14/h2-9,13H,10-12H2,1H3
InChIKeyRBEOEKWXIJZMAU-UHFFFAOYSA-N
XLogP2.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate (CID 24686584) is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The canonical SMILES for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate is CC1Cc2ccccc2N1C(=O)COC(=O)Cc1ccc(F)cc1.
What is the InChIKey of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The InChIKey is RBEOEKWXIJZMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-13-10-15-4-2-3-5-17(15)21(13)18(22)12-24-19(23)11-14-6-8-16(20)9-7-14/h2-9,13H,10-12H2,1H3.
What are the key properties of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate has a molecular weight of 327.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 24686584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).