2,4-dibromo-N-[(E)-(5-fluoro-2-hydroxyphenyl)methylideneamino]benzamide

C14H9Br2FN2O2 — CID 137362013

IUPAC2,4-dibromo-N-[(E)-(5-fluoro-2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc(F)ccc1O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H9Br2FN2O2/c15-9-1-3-11(12(16)6-9)14(21)19-18-7-8-5-10(17)2-4-13(8)20/h1-7,20H,(H,19,21)/b18-7+
InChIKeyPVUJDJGVXFDXNZ-CNHKJKLMSA-N
MW416.04 g/mol
LogP3.82
Rot. Bonds3

About 2,4-dibromo-N-[(E)-(5-fluoro-2-hydroxyphenyl)methylideneamino]benzamide

2,4-dibromo-N-[(E)-(5-fluoro-2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 137362013) has the molecular formula C14H9Br2FN2O2 and a molecular weight of 416.04 g/mol. Its IUPAC name is 2,4-dibromo-N-[(E)-(5-fluoro-2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[(E)-(5-fluoro-2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID137362013
Molecular FormulaC14H9Br2FN2O2
Molecular Weight416.04 g/mol
Exact Mass413.90
IUPAC Name2,4-dibromo-N-[(E)-(5-fluoro-2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc(F)ccc1O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H9Br2FN2O2/c15-9-1-3-11(12(16)6-9)14(21)19-18-7-8-5-10(17)2-4-13(8)20/h1-7,20H,(H,19,21)/b18-7+
InChIKeyPVUJDJGVXFDXNZ-CNHKJKLMSA-N
XLogP3.82
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.04
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2,4-dibromo-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]benzamide
CID 142499199
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide
CID 771428
2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 4135115
5-bromo-N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 762173
4-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135511246
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 135615369
N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5335710
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylbenzamide
CID 719568
1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 136870132
5-fluoro-2-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 135959958
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide
CID 142499229
2-bromo-N-[4-[[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 136802196

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(E)-(5-fluoro-2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2,4-dibromo-N-[(E)-(5-fluoro-2-hydroxyphenyl)methylideneamino]benzamide (CID 137362013) is 2,4-dibromo-N-[(E)-(5-fluoro-2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2,4-dibromo-N-[(E)-(5-fluoro-2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2,4-dibromo-N-[(E)-(5-fluoro-2-hydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1cc(F)ccc1O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[(E)-(5-fluoro-2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is PVUJDJGVXFDXNZ-CNHKJKLMSA-N. The full InChI is InChI=1S/C14H9Br2FN2O2/c15-9-1-3-11(12(16)6-9)14(21)19-18-7-8-5-10(17)2-4-13(8)20/h1-7,20H,(H,19,21)/b18-7+.
What are the key properties of 2,4-dibromo-N-[(E)-(5-fluoro-2-hydroxyphenyl)methylideneamino]benzamide?
2,4-dibromo-N-[(E)-(5-fluoro-2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 416.04 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[(E)-(5-fluoro-2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 137362013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).