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

C26H23FN2O4 — CID 153253236

IUPACN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2-(4-fluorophenyl)acetamide
SMILESCC(C)c1ccc2c(c1)OC1(O)c3cccc(N)c3C(=O)C21NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C26H23FN2O4/c1-14(2)16-8-11-18-21(13-16)33-26(32)19-4-3-5-20(28)23(19)24(31)25(18,26)29-22(30)12-15-6-9-17(27)10-7-15/h3-11,13-14,32H,12,28H2,1-2H3,(H,29,30)
InChIKeyWTTIZQPUTXJESX-UHFFFAOYSA-N
MW446.48 g/mol
LogP3.52
Rot. Bonds4

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

N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 153253236) has the molecular formula C26H23FN2O4 and a molecular weight of 446.48 g/mol. Its IUPAC name is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2-(4-fluorophenyl)acetamide
PubChem CID153253236
Molecular FormulaC26H23FN2O4
Molecular Weight446.48 g/mol
Exact Mass446.16
IUPAC NameN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2-(4-fluorophenyl)acetamide
SMILESCC(C)c1ccc2c(c1)OC1(O)c3cccc(N)c3C(=O)C21NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C26H23FN2O4/c1-14(2)16-8-11-18-21(13-16)33-26(32)19-4-3-5-20(28)23(19)24(31)25(18,26)29-22(30)12-15-6-9-17(27)10-7-15/h3-11,13-14,32H,12,28H2,1-2H3,(H,29,30)
InChIKeyWTTIZQPUTXJESX-UHFFFAOYSA-N
XLogP3.52
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-Amino-4b-hydroxy-7-isopropyl-10-oxo-9b,10-dihydro-4bH-indeno[1,2-b]benzofuran-9b-yl)-2,2,2-tri fluoroacetamide
CID 71487806
N-(1-Amino-4b-hydroxy-7-isopropyl-10-oxo-9b,10-dihydro-4bH-benzo[d]indeno[1,2-b]furan-9b-yl)-1,1,1-trifluoromethanesulfonamide
CID 71487807
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2,2-difluoroacetamide
CID 71488145
2,2,2-trifluoro-N-(4b-hydroxy-7-isopropyl-1-nitro-10-oxo-9b,10-dihydro-4bH-indeno[1,2-b]benzofuran-9b-vi)acetamide
CID 86716923
N-(1-Amino-4b-hydroxy-7-isopropyl-10-oxo-9b,10-dihydro-4bH-benzo[d]indeno[1,2-b]furan-9b-yl)-2-fluoroacetamide
CID 86716939
2-fluoro-N-(4b-hydroxy-7-isopropyl-1-nitro-10-oxo-9b,10-dihydro-4bH-benzo[d]indeno[1,2-b]furan-9b-yl)acetamide
CID 86716940
N-(1-Amino-4b-hydroxy-7-isopropyl-10-oxo-9b,10-dihydro-4bH-indeno[1,2-b]benzofuran-9b-yl)-3-fluoroisonicotinamide
CID 86717011
N-(1-Amino-4b-hydroxy-7-isopropyl-10-oxo-9b,10-dihydro-4bH-indeno[1,2-b]benzofuran-9b-yl)-5-fluoronicotinamide
CID 86717021
1-(1-Amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-(4-fluorophenyl)urea
CID 90097634
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 90097638
1-(4b-Hydroxy-1-nitro-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-(4-fluorophenyl)urea
CID 90097699
N-(4b-hydroxy-1-nitro-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-5-(2-chloro-6-fluorophenyl)-2-methylcyclopenta-1,4-diene-1-carboxamide
CID 90097785

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2-(4-fluorophenyl)acetamide (CID 153253236) is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2-(4-fluorophenyl)acetamide is CC(C)c1ccc2c(c1)OC1(O)c3cccc(N)c3C(=O)C21NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is WTTIZQPUTXJESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O4/c1-14(2)16-8-11-18-21(13-16)33-26(32)19-4-3-5-20(28)23(19)24(31)25(18,26)29-22(30)12-15-6-9-17(27)10-7-15/h3-11,13-14,32H,12,28H2,1-2H3,(H,29,30).
What are the key properties of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2-(4-fluorophenyl)acetamide?
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 446.48 g/mol, XLogP of 3.52, 4 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-ylindeno[1,2-b][1]benzofuran-9b-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 153253236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).