N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide

C23H20FNO3 — CID 53245866

IUPACN-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide
SMILESO=C(C[18F])N(Cc1cccc2c1OCC2)c1ccccc1Oc1ccccc1
InChIInChI=1S/C23H20FNO3/c24-15-22(26)25(16-18-8-6-7-17-13-14-27-23(17)18)20-11-4-5-12-21(20)28-19-9-2-1-3-10-19/h1-12H,13-16H2/i24-1
InChIKeyRDJNEDDYELAPBM-MIGPCILRSA-N
MW376.42 g/mol
LogP4.92
Rot. Bonds6

About N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide

N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide (PubChem CID 53245866) has the molecular formula C23H20FNO3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide
PubChem CID53245866
Molecular FormulaC23H20FNO3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide
SMILESO=C(C[18F])N(Cc1cccc2c1OCC2)c1ccccc1Oc1ccccc1
InChIInChI=1S/C23H20FNO3/c24-15-22(26)25(16-18-8-6-7-17-13-14-27-23(17)18)20-11-4-5-12-21(20)28-19-9-2-1-3-10-19/h1-12H,13-16H2/i24-1
InChIKeyRDJNEDDYELAPBM-MIGPCILRSA-N
XLogP4.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide (CID 53245866) is N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide is O=C(C[18F])N(Cc1cccc2c1OCC2)c1ccccc1Oc1ccccc1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide?
The InChIKey is RDJNEDDYELAPBM-MIGPCILRSA-N. The full InChI is InChI=1S/C23H20FNO3/c24-15-22(26)25(16-18-8-6-7-17-13-14-27-23(17)18)20-11-4-5-12-21(20)28-19-9-2-1-3-10-19/h1-12H,13-16H2/i24-1.
What are the key properties of N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide?
N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide has a molecular weight of 376.42 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 53245866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).