N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-hydroxybenzamide

C14H10BrFN2O2 — CID 5335710

IUPACN-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C/c1cc(Br)ccc1F)c1ccccc1O
InChIInChI=1S/C14H10BrFN2O2/c15-10-5-6-12(16)9(7-10)8-17-18-14(20)11-3-1-2-4-13(11)19/h1-8,19H,(H,18,20)/b17-8+
InChIKeyOJJMEHLJJIQUIX-CAOOACKPSA-N
MW337.15 g/mol
LogP3.06
Rot. Bonds3

About N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-hydroxybenzamide

N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-hydroxybenzamide (PubChem CID 5335710) has the molecular formula C14H10BrFN2O2 and a molecular weight of 337.15 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
PubChem CID5335710
Molecular FormulaC14H10BrFN2O2
Molecular Weight337.15 g/mol
Exact Mass335.99
IUPAC NameN-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C/c1cc(Br)ccc1F)c1ccccc1O
InChIInChI=1S/C14H10BrFN2O2/c15-10-5-6-12(16)9(7-10)8-17-18-14(20)11-3-1-2-4-13(11)19/h1-8,19H,(H,18,20)/b17-8+
InChIKeyOJJMEHLJJIQUIX-CAOOACKPSA-N
XLogP3.06
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.15
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 762173
N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 674709
2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 4135115
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-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135641867
N-[(E)-(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135959957
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylbenzamide
CID 719568
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 6009117
4-chloro-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5405746
2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;2,4-dibromo-6-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(3+);chloride
CID 24893012
N-[(E)-(2-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135883082

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-hydroxybenzamide (CID 5335710) is N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-hydroxybenzamide is O=C(N/N=C/c1cc(Br)ccc1F)c1ccccc1O.
What is the InChIKey of N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is OJJMEHLJJIQUIX-CAOOACKPSA-N. The full InChI is InChI=1S/C14H10BrFN2O2/c15-10-5-6-12(16)9(7-10)8-17-18-14(20)11-3-1-2-4-13(11)19/h1-8,19H,(H,18,20)/b17-8+.
What are the key properties of N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-hydroxybenzamide?
N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-hydroxybenzamide has a molecular weight of 337.15 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 5335710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).