1-[5-(4-aminofuran-3-yl)-2,3-dihydroindol-1-yl]-2-(2,5-difluorophenyl)ethanone

C20H16F2N2O2 — CID 141312646

IUPAC1-[5-(4-aminofuran-3-yl)-2,3-dihydroindol-1-yl]-2-(2,5-difluorophenyl)ethanone
SMILESNc1cocc1-c1ccc2c(c1)CCN2C(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C20H16F2N2O2/c21-15-2-3-17(22)14(8-15)9-20(25)24-6-5-13-7-12(1-4-19(13)24)16-10-26-11-18(16)23/h1-4,7-8,10-11H,5-6,9,23H2
InChIKeyONINTVHZYCSJOU-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.94
Rot. Bonds3

About 1-[5-(4-aminofuran-3-yl)-2,3-dihydroindol-1-yl]-2-(2,5-difluorophenyl)ethanone

1-[5-(4-aminofuran-3-yl)-2,3-dihydroindol-1-yl]-2-(2,5-difluorophenyl)ethanone (PubChem CID 141312646) has the molecular formula C20H16F2N2O2 and a molecular weight of 354.36 g/mol. Its IUPAC name is 1-[5-(4-aminofuran-3-yl)-2,3-dihydroindol-1-yl]-2-(2,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-[5-(4-aminofuran-3-yl)-2,3-dihydroindol-1-yl]-2-(2,5-difluorophenyl)ethanone
PubChem CID141312646
Molecular FormulaC20H16F2N2O2
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name1-[5-(4-aminofuran-3-yl)-2,3-dihydroindol-1-yl]-2-(2,5-difluorophenyl)ethanone
SMILESNc1cocc1-c1ccc2c(c1)CCN2C(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C20H16F2N2O2/c21-15-2-3-17(22)14(8-15)9-20(25)24-6-5-13-7-12(1-4-19(13)24)16-10-26-11-18(16)23/h1-4,7-8,10-11H,5-6,9,23H2
InChIKeyONINTVHZYCSJOU-UHFFFAOYSA-N
XLogP3.94
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-aminofuran-3-yl)-2,3-dihydroindol-1-yl]-2-(2,5-difluorophenyl)ethanone?
The IUPAC name of 1-[5-(4-aminofuran-3-yl)-2,3-dihydroindol-1-yl]-2-(2,5-difluorophenyl)ethanone (CID 141312646) is 1-[5-(4-aminofuran-3-yl)-2,3-dihydroindol-1-yl]-2-(2,5-difluorophenyl)ethanone.
What is the SMILES notation for 1-[5-(4-aminofuran-3-yl)-2,3-dihydroindol-1-yl]-2-(2,5-difluorophenyl)ethanone?
The canonical SMILES for 1-[5-(4-aminofuran-3-yl)-2,3-dihydroindol-1-yl]-2-(2,5-difluorophenyl)ethanone is Nc1cocc1-c1ccc2c(c1)CCN2C(=O)Cc1cc(F)ccc1F.
What is the InChIKey of 1-[5-(4-aminofuran-3-yl)-2,3-dihydroindol-1-yl]-2-(2,5-difluorophenyl)ethanone?
The InChIKey is ONINTVHZYCSJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2/c21-15-2-3-17(22)14(8-15)9-20(25)24-6-5-13-7-12(1-4-19(13)24)16-10-26-11-18(16)23/h1-4,7-8,10-11H,5-6,9,23H2.
What are the key properties of 1-[5-(4-aminofuran-3-yl)-2,3-dihydroindol-1-yl]-2-(2,5-difluorophenyl)ethanone?
1-[5-(4-aminofuran-3-yl)-2,3-dihydroindol-1-yl]-2-(2,5-difluorophenyl)ethanone has a molecular weight of 354.36 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-aminofuran-3-yl)-2,3-dihydroindol-1-yl]-2-(2,5-difluorophenyl)ethanone is sourced from PubChem (CID 141312646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).