N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-2,2,2-trifluoroacetamide

C20H19F3N2O4 — CID 138660830

IUPACN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-2,2,2-trifluoroacetamide
SMILESCC(C)c1ccc2c(c1)OC1(O)C3=CCCC(N)=C3C(=O)C21NC(=O)C(F)(F)F
InChIInChI=1S/C20H19F3N2O4/c1-9(2)10-6-7-11-14(8-10)29-19(28)12-4-3-5-13(24)15(12)16(26)18(11,19)25-17(27)20(21,22)23/h4,6-9,28H,3,5,24H2,1-2H3,(H,25,27)
InChIKeyIPVCUWUORPGWJT-UHFFFAOYSA-N
MW408.38 g/mol
LogP2.28
Rot. Bonds2

About N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-2,2,2-trifluoroacetamide

N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-2,2,2-trifluoroacetamide (PubChem CID 138660830) has the molecular formula C20H19F3N2O4 and a molecular weight of 408.38 g/mol. Its IUPAC name is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-2,2,2-trifluoroacetamide
PubChem CID138660830
Molecular FormulaC20H19F3N2O4
Molecular Weight408.38 g/mol
Exact Mass408.13
IUPAC NameN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-2,2,2-trifluoroacetamide
SMILESCC(C)c1ccc2c(c1)OC1(O)C3=CCCC(N)=C3C(=O)C21NC(=O)C(F)(F)F
InChIInChI=1S/C20H19F3N2O4/c1-9(2)10-6-7-11-14(8-10)29-19(28)12-4-3-5-13(24)15(12)16(26)18(11,19)25-17(27)20(21,22)23/h4,6-9,28H,3,5,24H2,1-2H3,(H,25,27)
InChIKeyIPVCUWUORPGWJT-UHFFFAOYSA-N
XLogP2.28
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-2,2,2-trifluoroacetamide (CID 138660830) is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-2,2,2-trifluoroacetamide is CC(C)c1ccc2c(c1)OC1(O)C3=CCCC(N)=C3C(=O)C21NC(=O)C(F)(F)F.
What is the InChIKey of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-2,2,2-trifluoroacetamide?
The InChIKey is IPVCUWUORPGWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O4/c1-9(2)10-6-7-11-14(8-10)29-19(28)12-4-3-5-13(24)15(12)16(26)18(11,19)25-17(27)20(21,22)23/h4,6-9,28H,3,5,24H2,1-2H3,(H,25,27).
What are the key properties of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-2,2,2-trifluoroacetamide?
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-2,2,2-trifluoroacetamide has a molecular weight of 408.38 g/mol, XLogP of 2.28, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 138660830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).