5-(benzamidomethyl)-N-hydroxy-1-benzofuran-2-carboxamide

C17H14N2O4 — CID 118728450

IUPAC5-(benzamidomethyl)-N-hydroxy-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccc2oc(C(=O)NO)cc2c1)c1ccccc1
InChIInChI=1S/C17H14N2O4/c20-16(12-4-2-1-3-5-12)18-10-11-6-7-14-13(8-11)9-15(23-14)17(21)19-22/h1-9,22H,10H2,(H,18,20)(H,19,21)
InChIKeyPHOIXUJXOSCRHW-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.48
Rot. Bonds4

About 5-(benzamidomethyl)-N-hydroxy-1-benzofuran-2-carboxamide

5-(benzamidomethyl)-N-hydroxy-1-benzofuran-2-carboxamide (PubChem CID 118728450) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 5-(benzamidomethyl)-N-hydroxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-(benzamidomethyl)-N-hydroxy-1-benzofuran-2-carboxamide
PubChem CID118728450
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name5-(benzamidomethyl)-N-hydroxy-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccc2oc(C(=O)NO)cc2c1)c1ccccc1
InChIInChI=1S/C17H14N2O4/c20-16(12-4-2-1-3-5-12)18-10-11-6-7-14-13(8-11)9-15(23-14)17(21)19-22/h1-9,22H,10H2,(H,18,20)(H,19,21)
InChIKeyPHOIXUJXOSCRHW-UHFFFAOYSA-N
XLogP2.48
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.48
H-Bond Donors ≤ 53
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 5-(benzamidomethyl)-N-hydroxy-1-benzofuran-2-carboxamide?
The IUPAC name of 5-(benzamidomethyl)-N-hydroxy-1-benzofuran-2-carboxamide (CID 118728450) is 5-(benzamidomethyl)-N-hydroxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-(benzamidomethyl)-N-hydroxy-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-(benzamidomethyl)-N-hydroxy-1-benzofuran-2-carboxamide is O=C(NCc1ccc2oc(C(=O)NO)cc2c1)c1ccccc1.
What is the InChIKey of 5-(benzamidomethyl)-N-hydroxy-1-benzofuran-2-carboxamide?
The InChIKey is PHOIXUJXOSCRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c20-16(12-4-2-1-3-5-12)18-10-11-6-7-14-13(8-11)9-15(23-14)17(21)19-22/h1-9,22H,10H2,(H,18,20)(H,19,21).
What are the key properties of 5-(benzamidomethyl)-N-hydroxy-1-benzofuran-2-carboxamide?
5-(benzamidomethyl)-N-hydroxy-1-benzofuran-2-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzamidomethyl)-N-hydroxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 118728450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).