N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide

C15H11F3N2O2 — CID 135466631

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3N2O2/c16-15(17,18)12-3-1-2-11(8-12)14(22)20-19-9-10-4-6-13(21)7-5-10/h1-9,21H,(H,20,22)/b19-9+
InChIKeyPIAIJBOIFKKOCD-DJKKODMXSA-N
MW308.26 g/mol
LogP3.17
Rot. Bonds3

About N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide

N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide (PubChem CID 135466631) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
PubChem CID135466631
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3N2O2/c16-15(17,18)12-3-1-2-11(8-12)14(22)20-19-9-10-4-6-13(21)7-5-10/h1-9,21H,(H,20,22)/b19-9+
InChIKeyPIAIJBOIFKKOCD-DJKKODMXSA-N
XLogP3.17
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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)-(4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide (CID 135466631) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide is O=C(N/N=C/c1ccc(O)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
The InChIKey is PIAIJBOIFKKOCD-DJKKODMXSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c16-15(17,18)12-3-1-2-11(8-12)14(22)20-19-9-10-4-6-13(21)7-5-10/h1-9,21H,(H,20,22)/b19-9+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide has a molecular weight of 308.26 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 135466631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).