N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide

C16H12N2O4 — CID 136765273

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1cc2ccccc2o1
InChIInChI=1S/C16H12N2O4/c19-12-6-5-11(13(20)8-12)9-17-18-16(21)15-7-10-3-1-2-4-14(10)22-15/h1-9,19-20H,(H,18,21)/b17-9+
InChIKeyHGHWTZCPQBQKAY-RQZCQDPDSA-N
MW296.28 g/mol
LogP2.61
Rot. Bonds3

About N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 136765273) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
PubChem CID136765273
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1cc2ccccc2o1
InChIInChI=1S/C16H12N2O4/c19-12-6-5-11(13(20)8-12)9-17-18-16(21)15-7-10-3-1-2-4-14(10)22-15/h1-9,19-20H,(H,18,21)/b17-9+
InChIKeyHGHWTZCPQBQKAY-RQZCQDPDSA-N
XLogP2.61
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(1-naphthylmethylene)-1-benzofuran-2-carbohydrazide
CID 6873935
N'-(2,4-dimethoxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 6876216
N'-(2-hydroxybenzoyl)-1-benzofuran-2-carbohydrazide
CID 7661749
N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-4-hydroxybenzamide
CID 9629236
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 6874799
N'-[(4-oxo-4H-chromen-3-yl)methylene]-1-benzofuran-2-carbohydrazide
CID 9557333
N'-(3-hydroxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 9558067
(E)-N'-(4-Hydroxy-3,5-dimethoxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 135571931
N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide
CID 149837614
N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide
CID 150344629
4-hydroxy-3-methyl-N-[(Z)-(2,3,4-trihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 150916837
N-[(Z)-(2-fluoro-6-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide
CID 150959622

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide (CID 136765273) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide is O=C(N/N=C/c1ccc(O)cc1O)c1cc2ccccc2o1.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is HGHWTZCPQBQKAY-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H12N2O4/c19-12-6-5-11(13(20)8-12)9-17-18-16(21)15-7-10-3-1-2-4-14(10)22-15/h1-9,19-20H,(H,18,21)/b17-9+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide has a molecular weight of 296.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 136765273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).