2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide

C21H24FN3O2 — CID 9126457

IUPAC2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C21H24FN3O2/c22-18-2-4-19(5-3-18)23-21(26)15-25-10-8-24(9-11-25)14-16-1-6-20-17(13-16)7-12-27-20/h1-6,13H,7-12,14-15H2,(H,23,26)
InChIKeyIALLEUHINZETDF-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.52
Rot. Bonds5

About 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide

2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 9126457) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID9126457
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C21H24FN3O2/c22-18-2-4-19(5-3-18)23-21(26)15-25-10-8-24(9-11-25)14-16-1-6-20-17(13-16)7-12-27-20/h1-6,13H,7-12,14-15H2,(H,23,26)
InChIKeyIALLEUHINZETDF-UHFFFAOYSA-N
XLogP2.52
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9126806
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 991070
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 45361840
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 9126664
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 31000776
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 22195442
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 9126554
N-(tert-butylcarbamoyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide
CID 9126852
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 9127510
N-(2-acetylphenyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide
CID 9126831
N-(5-chloro-2-methylphenyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide
CID 9126526
3-(N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetyl]-4-fluoroanilino)propanamide
CID 55471071

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 9126457) is 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is IALLEUHINZETDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c22-18-2-4-19(5-3-18)23-21(26)15-25-10-8-24(9-11-25)14-16-1-6-20-17(13-16)7-12-27-20/h1-6,13H,7-12,14-15H2,(H,23,26).
What are the key properties of 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 369.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 9126457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).