N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide

C12H8Cl2N2O3 — CID 135562319

IUPACN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccco1
InChIInChI=1S/C12H8Cl2N2O3/c13-8-4-7(11(17)9(14)5-8)6-15-16-12(18)10-2-1-3-19-10/h1-6,17H,(H,16,18)/b15-6+
InChIKeyVYFQWCHMZZDBPH-GIDUJCDVSA-N
MW299.11 g/mol
LogP3.06
Rot. Bonds3

About N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide

N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 135562319) has the molecular formula C12H8Cl2N2O3 and a molecular weight of 299.11 g/mol. Its IUPAC name is N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
PubChem CID135562319
Molecular FormulaC12H8Cl2N2O3
Molecular Weight299.11 g/mol
Exact Mass297.99
IUPAC NameN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccco1
InChIInChI=1S/C12H8Cl2N2O3/c13-8-4-7(11(17)9(14)5-8)6-15-16-12(18)10-2-1-3-19-10/h1-6,17H,(H,16,18)/b15-6+
InChIKeyVYFQWCHMZZDBPH-GIDUJCDVSA-N
XLogP3.06
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 136794136
N-[(Z)-[3-[(E)-(furan-2-carbonylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]furan-2-carboxamide
CID 135816538
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]furan-2-carboxamide
CID 5401936
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]furan-2-carboxamide
CID 137173095
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 135784611
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
CID 615778
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-fluorobenzamide
CID 137127853
[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
CID 793144
3,5-dibromo-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide
CID 137361735
2-(4-chlorophenyl)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135531713
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-methylpyridin-1-ium-4-carboxamide
CID 136680564
N-[(Z)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 136661630

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide (CID 135562319) is N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide is O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccco1.
What is the InChIKey of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is VYFQWCHMZZDBPH-GIDUJCDVSA-N. The full InChI is InChI=1S/C12H8Cl2N2O3/c13-8-4-7(11(17)9(14)5-8)6-15-16-12(18)10-2-1-3-19-10/h1-6,17H,(H,16,18)/b15-6+.
What are the key properties of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 299.11 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 135562319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).