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

C25H21ClN2O4 — CID 71488148

IUPACN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-chlorobenzamide
SMILESCC(C)c1ccc2c(c1)OC1(O)c3cccc(N)c3C(=O)C21NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C25H21ClN2O4/c1-13(2)14-9-10-17-20(12-14)32-25(31)18-7-4-8-19(27)21(18)22(29)24(17,25)28-23(30)15-5-3-6-16(26)11-15/h3-13,31H,27H2,1-2H3,(H,28,30)
InChIKeyMPMLKLCHUQVAMB-UHFFFAOYSA-N
MW448.91 g/mol
LogP4.10
Rot. Bonds3

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

N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-chlorobenzamide (PubChem CID 71488148) has the molecular formula C25H21ClN2O4 and a molecular weight of 448.91 g/mol. Its IUPAC name is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-chlorobenzamide.

Molecular Properties

Compound NameN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-chlorobenzamide
PubChem CID71488148
Molecular FormulaC25H21ClN2O4
Molecular Weight448.91 g/mol
Exact Mass448.12
IUPAC NameN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-chlorobenzamide
SMILESCC(C)c1ccc2c(c1)OC1(O)c3cccc(N)c3C(=O)C21NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C25H21ClN2O4/c1-13(2)14-9-10-17-20(12-14)32-25(31)18-7-4-8-19(27)21(18)22(29)24(17,25)28-23(30)15-5-3-6-16(26)11-15/h3-13,31H,27H2,1-2H3,(H,28,30)
InChIKeyMPMLKLCHUQVAMB-UHFFFAOYSA-N
XLogP4.10
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.91
LogP ≤ 54.10
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 N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-chlorobenzamide?
The IUPAC name of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-chlorobenzamide (CID 71488148) is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-chlorobenzamide.
What is the SMILES notation for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-chlorobenzamide?
The canonical SMILES for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-chlorobenzamide is CC(C)c1ccc2c(c1)OC1(O)c3cccc(N)c3C(=O)C21NC(=O)c1cccc(Cl)c1.
What is the InChIKey of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-chlorobenzamide?
The InChIKey is MPMLKLCHUQVAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O4/c1-13(2)14-9-10-17-20(12-14)32-25(31)18-7-4-8-19(27)21(18)22(29)24(17,25)28-23(30)15-5-3-6-16(26)11-15/h3-13,31H,27H2,1-2H3,(H,28,30).
What are the key properties of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-chlorobenzamide?
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-chlorobenzamide has a molecular weight of 448.91 g/mol, XLogP of 4.10, 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-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-chlorobenzamide is sourced from PubChem (CID 71488148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).