N-[(E)-(2-fluorophenyl)methylideneamino]-2,4-dihydroxybenzamide

C14H11FN2O3 — CID 5333882

IUPACN-[(E)-(2-fluorophenyl)methylideneamino]-2,4-dihydroxybenzamide
SMILESO=C(N/N=C/c1ccccc1F)c1ccc(O)cc1O
InChIInChI=1S/C14H11FN2O3/c15-12-4-2-1-3-9(12)8-16-17-14(20)11-6-5-10(18)7-13(11)19/h1-8,18-19H,(H,17,20)/b16-8+
InChIKeyZAVJXEMUKJBCGF-LZYBPNLTSA-N
MW274.25 g/mol
LogP2.00
Rot. Bonds3

About N-[(E)-(2-fluorophenyl)methylideneamino]-2,4-dihydroxybenzamide

N-[(E)-(2-fluorophenyl)methylideneamino]-2,4-dihydroxybenzamide (PubChem CID 5333882) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is N-[(E)-(2-fluorophenyl)methylideneamino]-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2-fluorophenyl)methylideneamino]-2,4-dihydroxybenzamide
PubChem CID5333882
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC NameN-[(E)-(2-fluorophenyl)methylideneamino]-2,4-dihydroxybenzamide
SMILESO=C(N/N=C/c1ccccc1F)c1ccc(O)cc1O
InChIInChI=1S/C14H11FN2O3/c15-12-4-2-1-3-9(12)8-16-17-14(20)11-6-5-10(18)7-13(11)19/h1-8,18-19H,(H,17,20)/b16-8+
InChIKeyZAVJXEMUKJBCGF-LZYBPNLTSA-N
XLogP2.00
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

4-chloro-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5405746
N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 674709
N-[(E)-(2-bromophenyl)methylideneamino]-2,4-dihydroxybenzamide
CID 45054611
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
2,4-dihydroxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 6287752
2,4-dihydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 5332442
5-bromo-N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 762173
N-[(E)-(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135959957
N-[(E)-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylideneamino]-2,4-dihydroxybenzamide
CID 169088186
N-[(Z)-(2-fluorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 5412703
N-[(E)-(2-fluorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6893755
4-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135511246

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-fluorophenyl)methylideneamino]-2,4-dihydroxybenzamide?
The IUPAC name of N-[(E)-(2-fluorophenyl)methylideneamino]-2,4-dihydroxybenzamide (CID 5333882) is N-[(E)-(2-fluorophenyl)methylideneamino]-2,4-dihydroxybenzamide.
What is the SMILES notation for N-[(E)-(2-fluorophenyl)methylideneamino]-2,4-dihydroxybenzamide?
The canonical SMILES for N-[(E)-(2-fluorophenyl)methylideneamino]-2,4-dihydroxybenzamide is O=C(N/N=C/c1ccccc1F)c1ccc(O)cc1O.
What is the InChIKey of N-[(E)-(2-fluorophenyl)methylideneamino]-2,4-dihydroxybenzamide?
The InChIKey is ZAVJXEMUKJBCGF-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H11FN2O3/c15-12-4-2-1-3-9(12)8-16-17-14(20)11-6-5-10(18)7-13(11)19/h1-8,18-19H,(H,17,20)/b16-8+.
What are the key properties of N-[(E)-(2-fluorophenyl)methylideneamino]-2,4-dihydroxybenzamide?
N-[(E)-(2-fluorophenyl)methylideneamino]-2,4-dihydroxybenzamide has a molecular weight of 274.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-fluorophenyl)methylideneamino]-2,4-dihydroxybenzamide is sourced from PubChem (CID 5333882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).