2-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide

C26H23FN4O3 — CID 20925814

IUPAC2-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1c(C(=O)N2CCN(c3ccccn3)CC2)oc2ccccc12
InChIInChI=1S/C26H23FN4O3/c27-19-10-8-18(9-11-19)17-23(32)29-24-20-5-1-2-6-21(20)34-25(24)26(33)31-15-13-30(14-16-31)22-7-3-4-12-28-22/h1-12H,13-17H2,(H,29,32)
InChIKeyYIIICSIEANDPQF-UHFFFAOYSA-N
MW458.49 g/mol
LogP4.11
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide

2-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide (PubChem CID 20925814) has the molecular formula C26H23FN4O3 and a molecular weight of 458.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide
PubChem CID20925814
Molecular FormulaC26H23FN4O3
Molecular Weight458.49 g/mol
Exact Mass458.18
IUPAC Name2-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1c(C(=O)N2CCN(c3ccccn3)CC2)oc2ccccc12
InChIInChI=1S/C26H23FN4O3/c27-19-10-8-18(9-11-19)17-23(32)29-24-20-5-1-2-6-21(20)34-25(24)26(33)31-15-13-30(14-16-31)22-7-3-4-12-28-22/h1-12H,13-17H2,(H,29,32)
InChIKeyYIIICSIEANDPQF-UHFFFAOYSA-N
XLogP4.11
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide (CID 20925814) is 2-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide is O=C(Cc1ccc(F)cc1)Nc1c(C(=O)N2CCN(c3ccccn3)CC2)oc2ccccc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide?
The InChIKey is YIIICSIEANDPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O3/c27-19-10-8-18(9-11-19)17-23(32)29-24-20-5-1-2-6-21(20)34-25(24)26(33)31-15-13-30(14-16-31)22-7-3-4-12-28-22/h1-12H,13-17H2,(H,29,32).
What are the key properties of 2-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide?
2-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide has a molecular weight of 458.49 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide is sourced from PubChem (CID 20925814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).