2-hydroxy-N-[(E)-(5-phenylfuran-2-yl)methylideneamino]benzamide

C18H14N2O3 — CID 6881299

IUPAC2-hydroxy-N-[(E)-(5-phenylfuran-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(-c2ccccc2)o1)c1ccccc1O
InChIInChI=1S/C18H14N2O3/c21-16-9-5-4-8-15(16)18(22)20-19-12-14-10-11-17(23-14)13-6-2-1-3-7-13/h1-12,21H,(H,20,22)/b19-12+
InChIKeyAHNMIMJVEMDAKH-XDHOZWIPSA-N
MW306.32 g/mol
LogP3.42
Rot. Bonds4

About 2-hydroxy-N-[(E)-(5-phenylfuran-2-yl)methylideneamino]benzamide

2-hydroxy-N-[(E)-(5-phenylfuran-2-yl)methylideneamino]benzamide (PubChem CID 6881299) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-(5-phenylfuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-(5-phenylfuran-2-yl)methylideneamino]benzamide
PubChem CID6881299
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name2-hydroxy-N-[(E)-(5-phenylfuran-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(-c2ccccc2)o1)c1ccccc1O
InChIInChI=1S/C18H14N2O3/c21-16-9-5-4-8-15(16)18(22)20-19-12-14-10-11-17(23-14)13-6-2-1-3-7-13/h1-12,21H,(H,20,22)/b19-12+
InChIKeyAHNMIMJVEMDAKH-XDHOZWIPSA-N
XLogP3.42
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-hydroxy-N-[(E)-(5-phenylfuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 2-hydroxy-N-[(E)-(5-phenylfuran-2-yl)methylideneamino]benzamide (CID 6881299) is 2-hydroxy-N-[(E)-(5-phenylfuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-(5-phenylfuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(E)-(5-phenylfuran-2-yl)methylideneamino]benzamide is O=C(N/N=C/c1ccc(-c2ccccc2)o1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[(E)-(5-phenylfuran-2-yl)methylideneamino]benzamide?
The InChIKey is AHNMIMJVEMDAKH-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-16-9-5-4-8-15(16)18(22)20-19-12-14-10-11-17(23-14)13-6-2-1-3-7-13/h1-12,21H,(H,20,22)/b19-12+.
What are the key properties of 2-hydroxy-N-[(E)-(5-phenylfuran-2-yl)methylideneamino]benzamide?
2-hydroxy-N-[(E)-(5-phenylfuran-2-yl)methylideneamino]benzamide has a molecular weight of 306.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-(5-phenylfuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 6881299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).