2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2,2-difluoroacetamide

C20H18F2N2O4 — CID 151295533

IUPAC2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2,2-difluoroacetamide
SMILESCC(C)c1ccc2c(c1)OC1(O)c3cccc(N)c3C(=O)C21C(F)(F)C(N)=O
InChIInChI=1S/C20H18F2N2O4/c1-9(2)10-6-7-11-14(8-10)28-20(27)12-4-3-5-13(23)15(12)16(25)18(11,20)19(21,22)17(24)26/h3-9,27H,23H2,1-2H3,(H2,24,26)
InChIKeyOBIFFAWXPFZVPD-UHFFFAOYSA-N
MW388.37 g/mol
LogP2.18
Rot. Bonds3

About 2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2,2-difluoroacetamide

2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2,2-difluoroacetamide (PubChem CID 151295533) has the molecular formula C20H18F2N2O4 and a molecular weight of 388.37 g/mol. Its IUPAC name is 2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2,2-difluoroacetamide.

Molecular Properties

Compound Name2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2,2-difluoroacetamide
PubChem CID151295533
Molecular FormulaC20H18F2N2O4
Molecular Weight388.37 g/mol
Exact Mass388.12
IUPAC Name2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2,2-difluoroacetamide
SMILESCC(C)c1ccc2c(c1)OC1(O)c3cccc(N)c3C(=O)C21C(F)(F)C(N)=O
InChIInChI=1S/C20H18F2N2O4/c1-9(2)10-6-7-11-14(8-10)28-20(27)12-4-3-5-13(23)15(12)16(25)18(11,20)19(21,22)17(24)26/h3-9,27H,23H2,1-2H3,(H2,24,26)
InChIKeyOBIFFAWXPFZVPD-UHFFFAOYSA-N
XLogP2.18
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2,2-difluoroacetamide?
The IUPAC name of 2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2,2-difluoroacetamide (CID 151295533) is 2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2,2-difluoroacetamide.
What is the SMILES notation for 2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2,2-difluoroacetamide?
The canonical SMILES for 2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2,2-difluoroacetamide is CC(C)c1ccc2c(c1)OC1(O)c3cccc(N)c3C(=O)C21C(F)(F)C(N)=O.
What is the InChIKey of 2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2,2-difluoroacetamide?
The InChIKey is OBIFFAWXPFZVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O4/c1-9(2)10-6-7-11-14(8-10)28-20(27)12-4-3-5-13(23)15(12)16(25)18(11,20)19(21,22)17(24)26/h3-9,27H,23H2,1-2H3,(H2,24,26).
What are the key properties of 2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2,2-difluoroacetamide?
2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2,2-difluoroacetamide has a molecular weight of 388.37 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2,2-difluoroacetamide is sourced from PubChem (CID 151295533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).