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

C20H21FN2O4 — CID 138660845

IUPACN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-2-fluoroacetamide
SMILESCC(C)c1ccc2c(c1)OC1(O)C3=CCCC(N)=C3C(=O)C21NC(=O)CF
InChIInChI=1S/C20H21FN2O4/c1-10(2)11-6-7-12-15(8-11)27-20(26)13-4-3-5-14(22)17(13)18(25)19(12,20)23-16(24)9-21/h4,6-8,10,26H,3,5,9,22H2,1-2H3,(H,23,24)
InChIKeyDKCOZIOYZMXYIH-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.69
Rot. Bonds3

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

N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-2-fluoroacetamide (PubChem CID 138660845) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 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-fluoroacetamide.

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-fluoroacetamide
PubChem CID138660845
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC NameN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-2-fluoroacetamide
SMILESCC(C)c1ccc2c(c1)OC1(O)C3=CCCC(N)=C3C(=O)C21NC(=O)CF
InChIInChI=1S/C20H21FN2O4/c1-10(2)11-6-7-12-15(8-11)27-20(26)13-4-3-5-14(22)17(13)18(25)19(12,20)23-16(24)9-21/h4,6-8,10,26H,3,5,9,22H2,1-2H3,(H,23,24)
InChIKeyDKCOZIOYZMXYIH-UHFFFAOYSA-N
XLogP1.69
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.69
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-fluoroacetamide?
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-fluoroacetamide (CID 138660845) is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-2-fluoroacetamide.
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-fluoroacetamide?
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-fluoroacetamide is CC(C)c1ccc2c(c1)OC1(O)C3=CCCC(N)=C3C(=O)C21NC(=O)CF.
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-fluoroacetamide?
The InChIKey is DKCOZIOYZMXYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-10(2)11-6-7-12-15(8-11)27-20(26)13-4-3-5-14(22)17(13)18(25)19(12,20)23-16(24)9-21/h4,6-8,10,26H,3,5,9,22H2,1-2H3,(H,23,24).
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-fluoroacetamide?
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-2-fluoroacetamide has a molecular weight of 372.40 g/mol, XLogP of 1.69, 3 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-fluoroacetamide is sourced from PubChem (CID 138660845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).