2-hydroxy-N-[(E)-[2-hydroxy-5-(trifluoromethoxy)phenyl]methylideneamino]benzamide

C15H11F3N2O4 — CID 135959938

IUPAC2-hydroxy-N-[(E)-[2-hydroxy-5-(trifluoromethoxy)phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc(OC(F)(F)F)ccc1O)c1ccccc1O
InChIInChI=1S/C15H11F3N2O4/c16-15(17,18)24-10-5-6-12(21)9(7-10)8-19-20-14(23)11-3-1-2-4-13(11)22/h1-8,21-22H,(H,20,23)/b19-8+
InChIKeyQYJJYEYSPIFJPJ-UFWORHAWSA-N
MW340.26 g/mol
LogP2.76
Rot. Bonds4

About 2-hydroxy-N-[(E)-[2-hydroxy-5-(trifluoromethoxy)phenyl]methylideneamino]benzamide

2-hydroxy-N-[(E)-[2-hydroxy-5-(trifluoromethoxy)phenyl]methylideneamino]benzamide (PubChem CID 135959938) has the molecular formula C15H11F3N2O4 and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-[2-hydroxy-5-(trifluoromethoxy)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-[2-hydroxy-5-(trifluoromethoxy)phenyl]methylideneamino]benzamide
PubChem CID135959938
Molecular FormulaC15H11F3N2O4
Molecular Weight340.26 g/mol
Exact Mass340.07
IUPAC Name2-hydroxy-N-[(E)-[2-hydroxy-5-(trifluoromethoxy)phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc(OC(F)(F)F)ccc1O)c1ccccc1O
InChIInChI=1S/C15H11F3N2O4/c16-15(17,18)24-10-5-6-12(21)9(7-10)8-19-20-14(23)11-3-1-2-4-13(11)22/h1-8,21-22H,(H,20,23)/b19-8+
InChIKeyQYJJYEYSPIFJPJ-UFWORHAWSA-N
XLogP2.76
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 52.76
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

N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135641867
2-hydroxy-N-[(E)-(2-hydroxy-5-nitrosophenyl)methylideneamino]benzamide
CID 136502811
5-fluoro-2-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 135959958
2-hydroxy-N-[[2-hydroxy-5-[[4-hydroxy-3-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]methyl]phenyl]methylideneamino]benzamide
CID 4531044
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 44507388
2-hydroxy-N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135883025
N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 674709
2-hydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 137156038
N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5335710
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(methanesulfonamido)benzamide
CID 135960004
2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 4135115
5-bromo-N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 762173

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-[2-hydroxy-5-(trifluoromethoxy)phenyl]methylideneamino]benzamide?
The IUPAC name of 2-hydroxy-N-[(E)-[2-hydroxy-5-(trifluoromethoxy)phenyl]methylideneamino]benzamide (CID 135959938) is 2-hydroxy-N-[(E)-[2-hydroxy-5-(trifluoromethoxy)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-[2-hydroxy-5-(trifluoromethoxy)phenyl]methylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(E)-[2-hydroxy-5-(trifluoromethoxy)phenyl]methylideneamino]benzamide is O=C(N/N=C/c1cc(OC(F)(F)F)ccc1O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[(E)-[2-hydroxy-5-(trifluoromethoxy)phenyl]methylideneamino]benzamide?
The InChIKey is QYJJYEYSPIFJPJ-UFWORHAWSA-N. The full InChI is InChI=1S/C15H11F3N2O4/c16-15(17,18)24-10-5-6-12(21)9(7-10)8-19-20-14(23)11-3-1-2-4-13(11)22/h1-8,21-22H,(H,20,23)/b19-8+.
What are the key properties of 2-hydroxy-N-[(E)-[2-hydroxy-5-(trifluoromethoxy)phenyl]methylideneamino]benzamide?
2-hydroxy-N-[(E)-[2-hydroxy-5-(trifluoromethoxy)phenyl]methylideneamino]benzamide has a molecular weight of 340.26 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-[2-hydroxy-5-(trifluoromethoxy)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 135959938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).