5-[(2,5-dichlorophenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide

C19H14Cl2N2O4 — CID 135511005

IUPAC5-[(2,5-dichlorophenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1ccc(COc2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C19H14Cl2N2O4/c20-13-3-7-16(21)18(9-13)26-11-15-6-8-17(27-15)19(25)23-22-10-12-1-4-14(24)5-2-12/h1-10,24H,11H2,(H,23,25)/b22-10+
InChIKeyFAZGSLOZBZHMPV-LSHDLFTRSA-N
MW405.24 g/mol
LogP4.63
Rot. Bonds6

About 5-[(2,5-dichlorophenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide

5-[(2,5-dichlorophenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 135511005) has the molecular formula C19H14Cl2N2O4 and a molecular weight of 405.24 g/mol. Its IUPAC name is 5-[(2,5-dichlorophenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,5-dichlorophenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
PubChem CID135511005
Molecular FormulaC19H14Cl2N2O4
Molecular Weight405.24 g/mol
Exact Mass404.03
IUPAC Name5-[(2,5-dichlorophenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1ccc(COc2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C19H14Cl2N2O4/c20-13-3-7-16(21)18(9-13)26-11-15-6-8-17(27-15)19(25)23-22-10-12-1-4-14(24)5-2-12/h1-10,24H,11H2,(H,23,25)/b22-10+
InChIKeyFAZGSLOZBZHMPV-LSHDLFTRSA-N
XLogP4.63
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.24
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dichlorophenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of 5-[(2,5-dichlorophenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide (CID 135511005) is 5-[(2,5-dichlorophenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-[(2,5-dichlorophenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-[(2,5-dichlorophenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide is O=C(N/N=C/c1ccc(O)cc1)c1ccc(COc2cc(Cl)ccc2Cl)o1.
What is the InChIKey of 5-[(2,5-dichlorophenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is FAZGSLOZBZHMPV-LSHDLFTRSA-N. The full InChI is InChI=1S/C19H14Cl2N2O4/c20-13-3-7-16(21)18(9-13)26-11-15-6-8-17(27-15)19(25)23-22-10-12-1-4-14(24)5-2-12/h1-10,24H,11H2,(H,23,25)/b22-10+.
What are the key properties of 5-[(2,5-dichlorophenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
5-[(2,5-dichlorophenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 405.24 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dichlorophenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 135511005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).