2-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]phenyl]-N-ethylacetamide

C19H21FN2O2 — CID 56706391

IUPAC2-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]phenyl]-N-ethylacetamide
SMILESCCNC(=O)Cc1ccc(-c2cc(F)cc3c2OC(CN)C3)cc1
InChIInChI=1S/C19H21FN2O2/c1-2-22-18(23)7-12-3-5-13(6-4-12)17-10-15(20)8-14-9-16(11-21)24-19(14)17/h3-6,8,10,16H,2,7,9,11,21H2,1H3,(H,22,23)
InChIKeyXJUSQTKADKXTSX-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.43
Rot. Bonds5

About 2-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]phenyl]-N-ethylacetamide

2-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]phenyl]-N-ethylacetamide (PubChem CID 56706391) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]phenyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]phenyl]-N-ethylacetamide
PubChem CID56706391
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name2-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]phenyl]-N-ethylacetamide
SMILESCCNC(=O)Cc1ccc(-c2cc(F)cc3c2OC(CN)C3)cc1
InChIInChI=1S/C19H21FN2O2/c1-2-22-18(23)7-12-3-5-13(6-4-12)17-10-15(20)8-14-9-16(11-21)24-19(14)17/h3-6,8,10,16H,2,7,9,11,21H2,1H3,(H,22,23)
InChIKeyXJUSQTKADKXTSX-UHFFFAOYSA-N
XLogP2.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]phenyl]-N-ethylacetamide?
The IUPAC name of 2-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]phenyl]-N-ethylacetamide (CID 56706391) is 2-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]phenyl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]phenyl]-N-ethylacetamide?
The canonical SMILES for 2-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]phenyl]-N-ethylacetamide is CCNC(=O)Cc1ccc(-c2cc(F)cc3c2OC(CN)C3)cc1.
What is the InChIKey of 2-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]phenyl]-N-ethylacetamide?
The InChIKey is XJUSQTKADKXTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-2-22-18(23)7-12-3-5-13(6-4-12)17-10-15(20)8-14-9-16(11-21)24-19(14)17/h3-6,8,10,16H,2,7,9,11,21H2,1H3,(H,22,23).
What are the key properties of 2-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]phenyl]-N-ethylacetamide?
2-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]phenyl]-N-ethylacetamide has a molecular weight of 328.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]phenyl]-N-ethylacetamide is sourced from PubChem (CID 56706391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).