4-hydroxy-N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide

C18H16N2O4 — CID 151268627

IUPAC4-hydroxy-N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc(O)c(/C=N\NC(=O)c2oc3cccc(O)c3c2C)c1
InChIInChI=1S/C18H16N2O4/c1-10-6-7-13(21)12(8-10)9-19-20-18(23)17-11(2)16-14(22)4-3-5-15(16)24-17/h3-9,21-22H,1-2H3,(H,20,23)/b19-9-
InChIKeyNVWNIHLJBIJGAJ-OCKHKDLRSA-N
MW324.34 g/mol
LogP3.22
Rot. Bonds3

About 4-hydroxy-N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide

4-hydroxy-N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 151268627) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-hydroxy-N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID151268627
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name4-hydroxy-N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc(O)c(/C=N\NC(=O)c2oc3cccc(O)c3c2C)c1
InChIInChI=1S/C18H16N2O4/c1-10-6-7-13(21)12(8-10)9-19-20-18(23)17-11(2)16-14(22)4-3-5-15(16)24-17/h3-9,21-22H,1-2H3,(H,20,23)/b19-9-
InChIKeyNVWNIHLJBIJGAJ-OCKHKDLRSA-N
XLogP3.22
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-hydroxy-N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide (CID 151268627) is 4-hydroxy-N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide is Cc1ccc(O)c(/C=N\NC(=O)c2oc3cccc(O)c3c2C)c1.
What is the InChIKey of 4-hydroxy-N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is NVWNIHLJBIJGAJ-OCKHKDLRSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-10-6-7-13(21)12(8-10)9-19-20-18(23)17-11(2)16-14(22)4-3-5-15(16)24-17/h3-9,21-22H,1-2H3,(H,20,23)/b19-9-.
What are the key properties of 4-hydroxy-N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
4-hydroxy-N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 3.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 151268627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).