5-fluoro-2-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide

C15H13FN2O4 — CID 135959958

IUPAC5-fluoro-2-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(O)c(/C=N/NC(=O)c2cc(F)ccc2O)c1
InChIInChI=1S/C15H13FN2O4/c1-22-11-3-5-13(19)9(6-11)8-17-18-15(21)12-7-10(16)2-4-14(12)20/h2-8,19-20H,1H3,(H,18,21)/b17-8+
InChIKeyZRRYJUDULIMOKJ-CAOOACKPSA-N
MW304.28 g/mol
LogP2.01
Rot. Bonds4

About 5-fluoro-2-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide

5-fluoro-2-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide (PubChem CID 135959958) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
PubChem CID135959958
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name5-fluoro-2-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(O)c(/C=N/NC(=O)c2cc(F)ccc2O)c1
InChIInChI=1S/C15H13FN2O4/c1-22-11-3-5-13(19)9(6-11)8-17-18-15(21)12-7-10(16)2-4-14(12)20/h2-8,19-20H,1H3,(H,18,21)/b17-8+
InChIKeyZRRYJUDULIMOKJ-CAOOACKPSA-N
XLogP2.01
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

4-amino-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide;hydrate
CID 139084206
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 139085490
1-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135959919
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 44507388
2-hydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 137156038
2-hydroxy-N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135883025
2-hydroxy-N-[(E)-[2-hydroxy-5-(trifluoromethoxy)phenyl]methylideneamino]benzamide
CID 135959938
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-[2-[(2E)-2-[(2-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 135867567
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-7-carboxamide
CID 135959939
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(methanesulfonamido)benzamide
CID 135960004
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3,4-dihydroxybenzamide;hydrate
CID 139077599
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-fluorobenzamide
CID 5391556

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 5-fluoro-2-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide (CID 135959958) is 5-fluoro-2-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 5-fluoro-2-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 5-fluoro-2-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide is COc1ccc(O)c(/C=N/NC(=O)c2cc(F)ccc2O)c1.
What is the InChIKey of 5-fluoro-2-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is ZRRYJUDULIMOKJ-CAOOACKPSA-N. The full InChI is InChI=1S/C15H13FN2O4/c1-22-11-3-5-13(19)9(6-11)8-17-18-15(21)12-7-10(16)2-4-14(12)20/h2-8,19-20H,1H3,(H,18,21)/b17-8+.
What are the key properties of 5-fluoro-2-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide?
5-fluoro-2-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 304.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135959958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).