N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C27H24FNO4 — CID 3324908

IUPACN-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)c1
InChIInChI=1S/C27H24FNO4/c1-16(2)20-13-8-17(3)14-23(20)32-15-24(30)29-25-21-6-4-5-7-22(21)33-27(25)26(31)18-9-11-19(28)12-10-18/h4-14,16H,15H2,1-3H3,(H,29,30)
InChIKeyXOICNVQXRXFPTD-UHFFFAOYSA-N
MW445.49 g/mol
LogP6.25
Rot. Bonds7

About N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 3324908) has the molecular formula C27H24FNO4 and a molecular weight of 445.49 g/mol. Its IUPAC name is N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID3324908
Molecular FormulaC27H24FNO4
Molecular Weight445.49 g/mol
Exact Mass445.17
IUPAC NameN-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)c1
InChIInChI=1S/C27H24FNO4/c1-16(2)20-13-8-17(3)14-23(20)32-15-24(30)29-25-21-6-4-5-7-22(21)33-27(25)26(31)18-9-11-19(28)12-10-18/h4-14,16H,15H2,1-3H3,(H,29,30)
InChIKeyXOICNVQXRXFPTD-UHFFFAOYSA-N
XLogP6.25
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.49
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 3324908) is N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)c1.
What is the InChIKey of N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is XOICNVQXRXFPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FNO4/c1-16(2)20-13-8-17(3)14-23(20)32-15-24(30)29-25-21-6-4-5-7-22(21)33-27(25)26(31)18-9-11-19(28)12-10-18/h4-14,16H,15H2,1-3H3,(H,29,30).
What are the key properties of N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 445.49 g/mol, XLogP of 6.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 3324908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).