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

C26H22FN3O3 — CID 20925795

IUPAC3-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
SMILESO=C(Nc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2ccccc12)c1cccc(F)c1
InChIInChI=1S/C26H22FN3O3/c27-19-8-6-7-18(17-19)25(31)28-23-21-11-4-5-12-22(21)33-24(23)26(32)30-15-13-29(14-16-30)20-9-2-1-3-10-20/h1-12,17H,13-16H2,(H,28,31)
InChIKeyZTRQMLXEPACEAF-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.79
Rot. Bonds4

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

3-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide (PubChem CID 20925795) has the molecular formula C26H22FN3O3 and a molecular weight of 443.48 g/mol. Its IUPAC name is 3-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
PubChem CID20925795
Molecular FormulaC26H22FN3O3
Molecular Weight443.48 g/mol
Exact Mass443.16
IUPAC Name3-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
SMILESO=C(Nc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2ccccc12)c1cccc(F)c1
InChIInChI=1S/C26H22FN3O3/c27-19-8-6-7-18(17-19)25(31)28-23-21-11-4-5-12-22(21)33-24(23)26(32)30-15-13-29(14-16-30)20-9-2-1-3-10-20/h1-12,17H,13-16H2,(H,28,31)
InChIKeyZTRQMLXEPACEAF-UHFFFAOYSA-N
XLogP4.79
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926283
4-fluoro-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]benzamide
CID 20925911
4-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 7614430
3-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926069
2-(4-fluorophenyl)-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925808
N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide
CID 20925892
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-3-methoxybenzamide
CID 20926272
N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide
CID 20925865
ethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate
CID 4569687
N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide
CID 20925721
2,6-difluoro-N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20925978
3-(methoxymethyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 18092742

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide (CID 20925795) is 3-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide is O=C(Nc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2ccccc12)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
The InChIKey is ZTRQMLXEPACEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O3/c27-19-8-6-7-18(17-19)25(31)28-23-21-11-4-5-12-22(21)33-24(23)26(32)30-15-13-29(14-16-30)20-9-2-1-3-10-20/h1-12,17H,13-16H2,(H,28,31).
What are the key properties of 3-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
3-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide has a molecular weight of 443.48 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 20925795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).