2-[(3-fluorophenoxy)methyl]-N-hydroxy-1-benzofuran-5-carboxamide

C16H12FNO4 — CID 129283391

IUPAC2-[(3-fluorophenoxy)methyl]-N-hydroxy-1-benzofuran-5-carboxamide
SMILESO=C(NO)c1ccc2oc(COc3cccc(F)c3)cc2c1
InChIInChI=1S/C16H12FNO4/c17-12-2-1-3-13(8-12)21-9-14-7-11-6-10(16(19)18-20)4-5-15(11)22-14/h1-8,20H,9H2,(H,18,19)
InChIKeyRFGRVPIGCXCSIK-UHFFFAOYSA-N
MW301.27 g/mol
LogP3.27
Rot. Bonds4

About 2-[(3-fluorophenoxy)methyl]-N-hydroxy-1-benzofuran-5-carboxamide

2-[(3-fluorophenoxy)methyl]-N-hydroxy-1-benzofuran-5-carboxamide (PubChem CID 129283391) has the molecular formula C16H12FNO4 and a molecular weight of 301.27 g/mol. Its IUPAC name is 2-[(3-fluorophenoxy)methyl]-N-hydroxy-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name2-[(3-fluorophenoxy)methyl]-N-hydroxy-1-benzofuran-5-carboxamide
PubChem CID129283391
Molecular FormulaC16H12FNO4
Molecular Weight301.27 g/mol
Exact Mass301.08
IUPAC Name2-[(3-fluorophenoxy)methyl]-N-hydroxy-1-benzofuran-5-carboxamide
SMILESO=C(NO)c1ccc2oc(COc3cccc(F)c3)cc2c1
InChIInChI=1S/C16H12FNO4/c17-12-2-1-3-13(8-12)21-9-14-7-11-6-10(16(19)18-20)4-5-15(11)22-14/h1-8,20H,9H2,(H,18,19)
InChIKeyRFGRVPIGCXCSIK-UHFFFAOYSA-N
XLogP3.27
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenoxy)methyl]-N-hydroxy-1-benzofuran-5-carboxamide?
The IUPAC name of 2-[(3-fluorophenoxy)methyl]-N-hydroxy-1-benzofuran-5-carboxamide (CID 129283391) is 2-[(3-fluorophenoxy)methyl]-N-hydroxy-1-benzofuran-5-carboxamide.
What is the SMILES notation for 2-[(3-fluorophenoxy)methyl]-N-hydroxy-1-benzofuran-5-carboxamide?
The canonical SMILES for 2-[(3-fluorophenoxy)methyl]-N-hydroxy-1-benzofuran-5-carboxamide is O=C(NO)c1ccc2oc(COc3cccc(F)c3)cc2c1.
What is the InChIKey of 2-[(3-fluorophenoxy)methyl]-N-hydroxy-1-benzofuran-5-carboxamide?
The InChIKey is RFGRVPIGCXCSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO4/c17-12-2-1-3-13(8-12)21-9-14-7-11-6-10(16(19)18-20)4-5-15(11)22-14/h1-8,20H,9H2,(H,18,19).
What are the key properties of 2-[(3-fluorophenoxy)methyl]-N-hydroxy-1-benzofuran-5-carboxamide?
2-[(3-fluorophenoxy)methyl]-N-hydroxy-1-benzofuran-5-carboxamide has a molecular weight of 301.27 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenoxy)methyl]-N-hydroxy-1-benzofuran-5-carboxamide is sourced from PubChem (CID 129283391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).