N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]furan-2-carboxamide

C13H12N2O4 — CID 135644319

IUPACN-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]furan-2-carboxamide
SMILESC/C(=N\NC(=O)c1ccco1)c1ccc(O)cc1O
InChIInChI=1S/C13H12N2O4/c1-8(10-5-4-9(16)7-11(10)17)14-15-13(18)12-3-2-6-19-12/h2-7,16-17H,1H3,(H,15,18)/b14-8+
InChIKeyPLIOYYRNVQUDIU-RIYZIHGNSA-N
MW260.25 g/mol
LogP1.84
Rot. Bonds3

About N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]furan-2-carboxamide

N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]furan-2-carboxamide (PubChem CID 135644319) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]furan-2-carboxamide
PubChem CID135644319
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC NameN-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]furan-2-carboxamide
SMILESC/C(=N\NC(=O)c1ccco1)c1ccc(O)cc1O
InChIInChI=1S/C13H12N2O4/c1-8(10-5-4-9(16)7-11(10)17)14-15-13(18)12-3-2-6-19-12/h2-7,16-17H,1H3,(H,15,18)/b14-8+
InChIKeyPLIOYYRNVQUDIU-RIYZIHGNSA-N
XLogP1.84
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.84
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-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide
CID 135784630
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 708171
2-amino-N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
CID 137150949
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 143033643
N-[(E)-1-(2,5-dichlorothiophen-3-yl)ethylideneamino]furan-2-carboxamide
CID 5412328
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide
CID 9175469
N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide
CID 5087593
2,4-dichloro-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
CID 135688205
N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide
CID 5340021
N-[1-(4-phenylphenyl)ethylideneamino]furan-2-carboxamide
CID 761397
N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-(dimethylamino)benzamide
CID 135858074

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]furan-2-carboxamide (CID 135644319) is N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]furan-2-carboxamide is C/C(=N\NC(=O)c1ccco1)c1ccc(O)cc1O.
What is the InChIKey of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]furan-2-carboxamide?
The InChIKey is PLIOYYRNVQUDIU-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-8(10-5-4-9(16)7-11(10)17)14-15-13(18)12-3-2-6-19-12/h2-7,16-17H,1H3,(H,15,18)/b14-8+.
What are the key properties of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]furan-2-carboxamide?
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]furan-2-carboxamide has a molecular weight of 260.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]furan-2-carboxamide is sourced from PubChem (CID 135644319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).