4-fluoro-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide

C23H16FNO4 — CID 1192919

IUPAC4-fluoro-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H16FNO4/c1-28-17-12-8-14(9-13-17)21(26)22-20(18-4-2-3-5-19(18)29-22)25-23(27)15-6-10-16(24)11-7-15/h2-13H,1H3,(H,25,27)
InChIKeyACTJLBIOEPLTIY-UHFFFAOYSA-N
MW389.38 g/mol
LogP5.06
Rot. Bonds5

About 4-fluoro-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide

4-fluoro-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide (PubChem CID 1192919) has the molecular formula C23H16FNO4 and a molecular weight of 389.38 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
PubChem CID1192919
Molecular FormulaC23H16FNO4
Molecular Weight389.38 g/mol
Exact Mass389.11
IUPAC Name4-fluoro-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H16FNO4/c1-28-17-12-8-14(9-13-17)21(26)22-20(18-4-2-3-5-19(18)29-22)25-23(27)15-6-10-16(24)11-7-15/h2-13H,1H3,(H,25,27)
InChIKeyACTJLBIOEPLTIY-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 4-fluoro-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide (CID 1192919) is 4-fluoro-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide is COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide?
The InChIKey is ACTJLBIOEPLTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FNO4/c1-28-17-12-8-14(9-13-17)21(26)22-20(18-4-2-3-5-19(18)29-22)25-23(27)15-6-10-16(24)11-7-15/h2-13H,1H3,(H,25,27).
What are the key properties of 4-fluoro-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide?
4-fluoro-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide 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 4-fluoro-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 1192919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).