4-tert-butyl-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide

C20H23FN2O2 — CID 135614080

IUPAC4-tert-butyl-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide
SMILESCC/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1cc(F)ccc1O
InChIInChI=1S/C20H23FN2O2/c1-5-17(16-12-15(21)10-11-18(16)24)22-23-19(25)13-6-8-14(9-7-13)20(2,3)4/h6-12,24H,5H2,1-4H3,(H,23,25)/b22-17+
InChIKeyFVGKWBUEGSNVED-OQKWZONESA-N
MW342.41 g/mol
LogP4.37
Rot. Bonds4

About 4-tert-butyl-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide

4-tert-butyl-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide (PubChem CID 135614080) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 4-tert-butyl-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide
PubChem CID135614080
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name4-tert-butyl-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide
SMILESCC/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1cc(F)ccc1O
InChIInChI=1S/C20H23FN2O2/c1-5-17(16-12-15(21)10-11-18(16)24)22-23-19(25)13-6-8-14(9-7-13)20(2,3)4/h6-12,24H,5H2,1-4H3,(H,23,25)/b22-17+
InChIKeyFVGKWBUEGSNVED-OQKWZONESA-N
XLogP4.37
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.37
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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Related Compounds

4-ethyl-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide
CID 135673781
4-[(4-ethoxyphenoxy)methyl]-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide
CID 135613550
N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]cyclopropanecarboxamide
CID 135558237
4-chloro-N-[(E)-1-(2,5-dihydroxyphenyl)propylideneamino]benzamide
CID 135621561
4-tert-butyl-N-[1-(2,4-dichlorophenyl)propylideneamino]benzamide
CID 3681131
N-[1-(3,5-dichloro-2-hydroxyphenyl)propylideneamino]-4-fluorobenzamide
CID 3388426
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)propylideneamino]-4-fluorobenzamide
CID 135691033
N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-methylbenzamide
CID 135716964
4-ethoxy-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]benzamide
CID 135577280
4-tert-butyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135445579
2-(4-ethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide
CID 135575981
N-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 3988211

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide?
The IUPAC name of 4-tert-butyl-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide (CID 135614080) is 4-tert-butyl-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide is CC/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1cc(F)ccc1O.
What is the InChIKey of 4-tert-butyl-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide?
The InChIKey is FVGKWBUEGSNVED-OQKWZONESA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-5-17(16-12-15(21)10-11-18(16)24)22-23-19(25)13-6-8-14(9-7-13)20(2,3)4/h6-12,24H,5H2,1-4H3,(H,23,25)/b22-17+.
What are the key properties of 4-tert-butyl-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide?
4-tert-butyl-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide has a molecular weight of 342.41 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide is sourced from PubChem (CID 135614080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).