N-[1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]-N-methylacetamide

C19H15F3N2O4 — CID 156895588

IUPACN-[1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]-N-methylacetamide
SMILESCC(=O)N(C)C12C(=O)c3c(N)cccc3C1(O)Oc1cc(C(F)(F)F)ccc12
InChIInChI=1S/C19H15F3N2O4/c1-9(25)24(2)17-11-7-6-10(19(20,21)22)8-14(11)28-18(17,27)12-4-3-5-13(23)15(12)16(17)26/h3-8,27H,23H2,1-2H3
InChIKeyVGVMXORKQPXNBS-UHFFFAOYSA-N
MW392.33 g/mol
LogP2.40
Rot. Bonds1

About N-[1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]-N-methylacetamide

N-[1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]-N-methylacetamide (PubChem CID 156895588) has the molecular formula C19H15F3N2O4 and a molecular weight of 392.33 g/mol. Its IUPAC name is N-[1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]-N-methylacetamide
PubChem CID156895588
Molecular FormulaC19H15F3N2O4
Molecular Weight392.33 g/mol
Exact Mass392.10
IUPAC NameN-[1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]-N-methylacetamide
SMILESCC(=O)N(C)C12C(=O)c3c(N)cccc3C1(O)Oc1cc(C(F)(F)F)ccc12
InChIInChI=1S/C19H15F3N2O4/c1-9(25)24(2)17-11-7-6-10(19(20,21)22)8-14(11)28-18(17,27)12-4-3-5-13(23)15(12)16(17)26/h3-8,27H,23H2,1-2H3
InChIKeyVGVMXORKQPXNBS-UHFFFAOYSA-N
XLogP2.40
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
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 N-[1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]-N-methylacetamide?
The IUPAC name of N-[1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]-N-methylacetamide (CID 156895588) is N-[1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]-N-methylacetamide?
The canonical SMILES for N-[1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]-N-methylacetamide is CC(=O)N(C)C12C(=O)c3c(N)cccc3C1(O)Oc1cc(C(F)(F)F)ccc12.
What is the InChIKey of N-[1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]-N-methylacetamide?
The InChIKey is VGVMXORKQPXNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O4/c1-9(25)24(2)17-11-7-6-10(19(20,21)22)8-14(11)28-18(17,27)12-4-3-5-13(23)15(12)16(17)26/h3-8,27H,23H2,1-2H3.
What are the key properties of N-[1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]-N-methylacetamide?
N-[1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]-N-methylacetamide has a molecular weight of 392.33 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 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-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]-N-methylacetamide is sourced from PubChem (CID 156895588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).