N-[(E)-(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide

C14H11FN2O3 — CID 135959957

IUPACN-[(E)-(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C/c1cccc(F)c1O)c1ccccc1O
InChIInChI=1S/C14H11FN2O3/c15-11-6-3-4-9(13(11)19)8-16-17-14(20)10-5-1-2-7-12(10)18/h1-8,18-19H,(H,17,20)/b16-8+
InChIKeyHYSVADXSXWUSJT-LZYBPNLTSA-N
MW274.25 g/mol
LogP2.00
Rot. Bonds3

About N-[(E)-(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide

N-[(E)-(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide (PubChem CID 135959957) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is N-[(E)-(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
PubChem CID135959957
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC NameN-[(E)-(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C/c1cccc(F)c1O)c1ccccc1O
InChIInChI=1S/C14H11FN2O3/c15-11-6-3-4-9(13(11)19)8-16-17-14(20)10-5-1-2-7-12(10)18/h1-8,18-19H,(H,17,20)/b16-8+
InChIKeyHYSVADXSXWUSJT-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': '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-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 674709
4-chloro-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5405746
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135641867
N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5335710
N-[(E)-(2-fluorophenyl)methylideneamino]-2,4-dihydroxybenzamide
CID 5333882
2-hydroxy-N-[(Z)-(2-methylphenyl)methylideneamino]benzamide
CID 5392167
2-hydroxy-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 135715804
N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 137095074
2-hydroxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
CID 4683367
5-bromo-N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 762173
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
CID 6299939

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(E)-(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide (CID 135959957) is N-[(E)-(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide is O=C(N/N=C/c1cccc(F)c1O)c1ccccc1O.
What is the InChIKey of N-[(E)-(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is HYSVADXSXWUSJT-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H11FN2O3/c15-11-6-3-4-9(13(11)19)8-16-17-14(20)10-5-1-2-7-12(10)18/h1-8,18-19H,(H,17,20)/b16-8+.
What are the key properties of N-[(E)-(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide?
N-[(E)-(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide 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)-(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 135959957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).