4-hydroxy-3-methyl-N-[(2,3,4-trihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide

C17H14N2O6 — CID 175013264

IUPAC4-hydroxy-3-methyl-N-[(2,3,4-trihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NN=Cc2ccc(O)c(O)c2O)oc2cccc(O)c12
InChIInChI=1S/C17H14N2O6/c1-8-13-10(20)3-2-4-12(13)25-16(8)17(24)19-18-7-9-5-6-11(21)15(23)14(9)22/h2-7,20-23H,1H3,(H,19,24)
InChIKeyLDELKHXVFGCHDM-UHFFFAOYSA-N
MW342.31 g/mol
LogP2.33
Rot. Bonds3

About 4-hydroxy-3-methyl-N-[(2,3,4-trihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide

4-hydroxy-3-methyl-N-[(2,3,4-trihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 175013264) has the molecular formula C17H14N2O6 and a molecular weight of 342.31 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-N-[(2,3,4-trihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-3-methyl-N-[(2,3,4-trihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
PubChem CID175013264
Molecular FormulaC17H14N2O6
Molecular Weight342.31 g/mol
Exact Mass342.09
IUPAC Name4-hydroxy-3-methyl-N-[(2,3,4-trihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NN=Cc2ccc(O)c(O)c2O)oc2cccc(O)c12
InChIInChI=1S/C17H14N2O6/c1-8-13-10(20)3-2-4-12(13)25-16(8)17(24)19-18-7-9-5-6-11(21)15(23)14(9)22/h2-7,20-23H,1H3,(H,19,24)
InChIKeyLDELKHXVFGCHDM-UHFFFAOYSA-N
XLogP2.33
TPSA135.52 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 52.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-hydroxy-3-methyl-N-[(2,3,4-trihydroxyphenyl)methylideneamino]-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

Related Compounds

N-[(3-fluorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide
CID 175012801
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide
CID 175009758
4-hydroxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 11084994
3-(2,5-dimethylpyrrol-1-yl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide
CID 136961293
3-(diethylsulfamoyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide
CID 135401277
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464574
N,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide
CID 5041852
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464567
N-[(Z)-(4-bromophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464455
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide
CID 135852734
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3,5-dihydroxybenzamide
CID 135421615
1,2-bis[(2,3,4-trihydroxyphenyl)methylideneamino]guanidine
CID 137153596

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-N-[(2,3,4-trihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of 4-hydroxy-3-methyl-N-[(2,3,4-trihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide (CID 175013264) is 4-hydroxy-3-methyl-N-[(2,3,4-trihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 4-hydroxy-3-methyl-N-[(2,3,4-trihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 4-hydroxy-3-methyl-N-[(2,3,4-trihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide is Cc1c(C(=O)NN=Cc2ccc(O)c(O)c2O)oc2cccc(O)c12.
What is the InChIKey of 4-hydroxy-3-methyl-N-[(2,3,4-trihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is LDELKHXVFGCHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O6/c1-8-13-10(20)3-2-4-12(13)25-16(8)17(24)19-18-7-9-5-6-11(21)15(23)14(9)22/h2-7,20-23H,1H3,(H,19,24).
What are the key properties of 4-hydroxy-3-methyl-N-[(2,3,4-trihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
4-hydroxy-3-methyl-N-[(2,3,4-trihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide has a molecular weight of 342.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-N-[(2,3,4-trihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 175013264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).