N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide

C15H10BrF3N2O2 — CID 155551881

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H10BrF3N2O2/c16-10-5-6-13(22)9(7-10)8-20-21-14(23)11-3-1-2-4-12(11)15(17,18)19/h1-8,22H,(H,21,23)/b20-8+
InChIKeyXXJABYDDXDVABD-DNTJNYDQSA-N
MW387.16 g/mol
LogP3.94
Rot. Bonds3

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide (PubChem CID 155551881) has the molecular formula C15H10BrF3N2O2 and a molecular weight of 387.16 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide
PubChem CID155551881
Molecular FormulaC15H10BrF3N2O2
Molecular Weight387.16 g/mol
Exact Mass385.99
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H10BrF3N2O2/c16-10-5-6-13(22)9(7-10)8-20-21-14(23)11-3-1-2-4-12(11)15(17,18)19/h1-8,22H,(H,21,23)/b20-8+
InChIKeyXXJABYDDXDVABD-DNTJNYDQSA-N
XLogP3.94
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.16
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide (CID 155551881) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide is O=C(N/N=C/c1cc(Br)ccc1O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide?
The InChIKey is XXJABYDDXDVABD-DNTJNYDQSA-N. The full InChI is InChI=1S/C15H10BrF3N2O2/c16-10-5-6-13(22)9(7-10)8-20-21-14(23)11-3-1-2-4-12(11)15(17,18)19/h1-8,22H,(H,21,23)/b20-8+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide has a molecular weight of 387.16 g/mol, XLogP of 3.94, 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-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 155551881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).