N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide

C23H16FNO4 — CID 4076471

IUPACN-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc1
InChIInChI=1S/C23H16FNO4/c1-28-17-12-8-15(9-13-17)23(27)25-20-18-4-2-3-5-19(18)29-22(20)21(26)14-6-10-16(24)11-7-14/h2-13H,1H3,(H,25,27)
InChIKeyWXROQZTWPLGBLW-UHFFFAOYSA-N
MW389.38 g/mol
LogP5.06
Rot. Bonds5

About N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide

N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide (PubChem CID 4076471) has the molecular formula C23H16FNO4 and a molecular weight of 389.38 g/mol. Its IUPAC name is N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide
PubChem CID4076471
Molecular FormulaC23H16FNO4
Molecular Weight389.38 g/mol
Exact Mass389.11
IUPAC NameN-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc1
InChIInChI=1S/C23H16FNO4/c1-28-17-12-8-15(9-13-17)23(27)25-20-18-4-2-3-5-19(18)29-22(20)21(26)14-6-10-16(24)11-7-14/h2-13H,1H3,(H,25,27)
InChIKeyWXROQZTWPLGBLW-UHFFFAOYSA-N
XLogP5.06
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.38
LogP ≤ 55.06
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]-4-methoxybenzamide?
The IUPAC name of N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide (CID 4076471) is N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc1.
What is the InChIKey of N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide?
The InChIKey is WXROQZTWPLGBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FNO4/c1-28-17-12-8-15(9-13-17)23(27)25-20-18-4-2-3-5-19(18)29-22(20)21(26)14-6-10-16(24)11-7-14/h2-13H,1H3,(H,25,27).
What are the key properties of N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide?
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide has a molecular weight of 389.38 g/mol, XLogP of 5.06, 5 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]-4-methoxybenzamide is sourced from PubChem (CID 4076471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).