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

C17H14N2O5 — CID 151142719

IUPACN-[(Z)-(2,5-dihydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N/N=C\c2cc(O)ccc2O)oc2cccc(O)c12
InChIInChI=1S/C17H14N2O5/c1-9-15-13(22)3-2-4-14(15)24-16(9)17(23)19-18-8-10-7-11(20)5-6-12(10)21/h2-8,20-22H,1H3,(H,19,23)/b18-8-
InChIKeyMWNQBJLBNCMANU-LSCVHKIXSA-N
MW326.31 g/mol
LogP2.62
Rot. Bonds3

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

N-[(Z)-(2,5-dihydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 151142719) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is N-[(Z)-(2,5-dihydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2,5-dihydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID151142719
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC NameN-[(Z)-(2,5-dihydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N/N=C\c2cc(O)ccc2O)oc2cccc(O)c12
InChIInChI=1S/C17H14N2O5/c1-9-15-13(22)3-2-4-14(15)24-16(9)17(23)19-18-8-10-7-11(20)5-6-12(10)21/h2-8,20-22H,1H3,(H,19,23)/b18-8-
InChIKeyMWNQBJLBNCMANU-LSCVHKIXSA-N
XLogP2.62
TPSA115.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'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 N-[(Z)-(2,5-dihydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(Z)-(2,5-dihydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide (CID 151142719) is N-[(Z)-(2,5-dihydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(Z)-(2,5-dihydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(Z)-(2,5-dihydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)N/N=C\c2cc(O)ccc2O)oc2cccc(O)c12.
What is the InChIKey of N-[(Z)-(2,5-dihydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is MWNQBJLBNCMANU-LSCVHKIXSA-N. The full InChI is InChI=1S/C17H14N2O5/c1-9-15-13(22)3-2-4-14(15)24-16(9)17(23)19-18-8-10-7-11(20)5-6-12(10)21/h2-8,20-22H,1H3,(H,19,23)/b18-8-.
What are the key properties of N-[(Z)-(2,5-dihydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide?
N-[(Z)-(2,5-dihydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 326.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,5-dihydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 151142719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).