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

C25H21ClN2O4 — CID 151038554

IUPAC2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-4-chlorobenzamide
SMILESCC(C)c1ccc2c(c1)OC1(O)c3cccc(N)c3C(=O)C21c1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C25H21ClN2O4/c1-12(2)13-6-9-16-20(10-13)32-25(31)17-4-3-5-19(27)21(17)22(29)24(16,25)18-11-14(26)7-8-15(18)23(28)30/h3-12,31H,27H2,1-2H3,(H2,28,30)
InChIKeyMBPANFSIRHAKPN-UHFFFAOYSA-N
MW448.91 g/mol
LogP3.86
Rot. Bonds3

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

2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-4-chlorobenzamide (PubChem CID 151038554) has the molecular formula C25H21ClN2O4 and a molecular weight of 448.91 g/mol. Its IUPAC name is 2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-4-chlorobenzamide.

Molecular Properties

Compound Name2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-4-chlorobenzamide
PubChem CID151038554
Molecular FormulaC25H21ClN2O4
Molecular Weight448.91 g/mol
Exact Mass448.12
IUPAC Name2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-4-chlorobenzamide
SMILESCC(C)c1ccc2c(c1)OC1(O)c3cccc(N)c3C(=O)C21c1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C25H21ClN2O4/c1-12(2)13-6-9-16-20(10-13)32-25(31)17-4-3-5-19(27)21(17)22(29)24(16,25)18-11-14(26)7-8-15(18)23(28)30/h3-12,31H,27H2,1-2H3,(H2,28,30)
InChIKeyMBPANFSIRHAKPN-UHFFFAOYSA-N
XLogP3.86
TPSA115.64 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 ≤ 53.86
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

2-[1-Amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]acetamide
CID 176380437
2-(1-Amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2,2-difluoroacetamide
CID 151295533
(E)-N-(1-Amino-4b-hydroxy-7-isopropyl-10-oxo-9b,10-dihydro-4bH-indeno[1,2-b]benzofuran-9b-yl)-3-(3,4-dichlorophenyl)acrylamide
CID 71487862
N-(1-Amino-4b-hydroxy-7-isopropyl-10-oxo-9b,10-dihydro-4bH-indeno[1,2-b]benzofuran-9b-yl)-2,4,6-trichlorobenzamide
CID 71488146
N-(1-Amino-4b-hydroxy-7-isopropyl-10-oxo-9b,10-dihydro-4bH-indeno[1,2-b]benzofuran-9b-yl)-3-chlorobenzamide
CID 71488148
N-(1-Amino-4b-hydroxy-7-isopropyl-10-oxo-9b,10-dihydro-4bH-indeno[1,2-b]benzofuran-9b-yl)-4-chlorobenzamide
CID 71488347
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 77990143
1-Amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-carboxamide
CID 134238258
1-Amino-4b-hydroxy-10-oxo-7-propan-2-yl-9b-[(sulfinatoamino)methyl]indeno[1,2-b][1]benzofuran
CID 138628468
3-(1-Amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2,4,6-trichlorobenzamide
CID 150498883
1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-9bH-indeno[1,2-b][1]benzofuran-2-carboxamide
CID 151024054
2-(1-Amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide
CID 151454811

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-4-chlorobenzamide?
The IUPAC name of 2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-4-chlorobenzamide (CID 151038554) is 2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-4-chlorobenzamide.
What is the SMILES notation for 2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-4-chlorobenzamide?
The canonical SMILES for 2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-4-chlorobenzamide is CC(C)c1ccc2c(c1)OC1(O)c3cccc(N)c3C(=O)C21c1cc(Cl)ccc1C(N)=O.
What is the InChIKey of 2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-4-chlorobenzamide?
The InChIKey is MBPANFSIRHAKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O4/c1-12(2)13-6-9-16-20(10-13)32-25(31)17-4-3-5-19(27)21(17)22(29)24(16,25)18-11-14(26)7-8-15(18)23(28)30/h3-12,31H,27H2,1-2H3,(H2,28,30).
What are the key properties of 2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-4-chlorobenzamide?
2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-4-chlorobenzamide has a molecular weight of 448.91 g/mol, XLogP of 3.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-4-chlorobenzamide is sourced from PubChem (CID 151038554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).