4-[(4-tert-butylphenoxy)methyl]-N-[1-(2-fluorophenyl)ethylideneamino]benzamide

C26H27FN2O2 — CID 4240116

IUPAC4-[(4-tert-butylphenoxy)methyl]-N-[1-(2-fluorophenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)c1ccccc1F
InChIInChI=1S/C26H27FN2O2/c1-18(23-7-5-6-8-24(23)27)28-29-25(30)20-11-9-19(10-12-20)17-31-22-15-13-21(14-16-22)26(2,3)4/h5-16H,17H2,1-4H3,(H,29,30)
InChIKeyRIFGNXFKTVOZQC-UHFFFAOYSA-N
MW418.51 g/mol
LogP5.86
Rot. Bonds6

About 4-[(4-tert-butylphenoxy)methyl]-N-[1-(2-fluorophenyl)ethylideneamino]benzamide

4-[(4-tert-butylphenoxy)methyl]-N-[1-(2-fluorophenyl)ethylideneamino]benzamide (PubChem CID 4240116) has the molecular formula C26H27FN2O2 and a molecular weight of 418.51 g/mol. Its IUPAC name is 4-[(4-tert-butylphenoxy)methyl]-N-[1-(2-fluorophenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-[(4-tert-butylphenoxy)methyl]-N-[1-(2-fluorophenyl)ethylideneamino]benzamide
PubChem CID4240116
Molecular FormulaC26H27FN2O2
Molecular Weight418.51 g/mol
Exact Mass418.21
IUPAC Name4-[(4-tert-butylphenoxy)methyl]-N-[1-(2-fluorophenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)c1ccccc1F
InChIInChI=1S/C26H27FN2O2/c1-18(23-7-5-6-8-24(23)27)28-29-25(30)20-11-9-19(10-12-20)17-31-22-15-13-21(14-16-22)26(2,3)4/h5-16H,17H2,1-4H3,(H,29,30)
InChIKeyRIFGNXFKTVOZQC-UHFFFAOYSA-N
XLogP5.86
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.51
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933076
4-tert-butyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135445579
2-fluoro-N'-[4-(phenoxymethyl)benzoyl]benzohydrazide
CID 4875820
N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933030
N-[1-(4-chlorophenyl)ethylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 171131786
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide
CID 6027125
N'-[4-[(4-tert-butylphenoxy)methyl]benzoyl]-2-methylsulfonylbenzohydrazide
CID 24624385
4-[(4-ethoxyphenoxy)methyl]-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]benzamide
CID 135752121
N-(pentan-3-ylideneamino)-4-(phenoxymethyl)benzamide
CID 8518193
2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 4200169
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide
CID 6183873
2-(4-tert-butylphenoxy)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 921053

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenoxy)methyl]-N-[1-(2-fluorophenyl)ethylideneamino]benzamide?
The IUPAC name of 4-[(4-tert-butylphenoxy)methyl]-N-[1-(2-fluorophenyl)ethylideneamino]benzamide (CID 4240116) is 4-[(4-tert-butylphenoxy)methyl]-N-[1-(2-fluorophenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-[(4-tert-butylphenoxy)methyl]-N-[1-(2-fluorophenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-[(4-tert-butylphenoxy)methyl]-N-[1-(2-fluorophenyl)ethylideneamino]benzamide is CC(=NNC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)c1ccccc1F.
What is the InChIKey of 4-[(4-tert-butylphenoxy)methyl]-N-[1-(2-fluorophenyl)ethylideneamino]benzamide?
The InChIKey is RIFGNXFKTVOZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O2/c1-18(23-7-5-6-8-24(23)27)28-29-25(30)20-11-9-19(10-12-20)17-31-22-15-13-21(14-16-22)26(2,3)4/h5-16H,17H2,1-4H3,(H,29,30).
What are the key properties of 4-[(4-tert-butylphenoxy)methyl]-N-[1-(2-fluorophenyl)ethylideneamino]benzamide?
4-[(4-tert-butylphenoxy)methyl]-N-[1-(2-fluorophenyl)ethylideneamino]benzamide has a molecular weight of 418.51 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenoxy)methyl]-N-[1-(2-fluorophenyl)ethylideneamino]benzamide is sourced from PubChem (CID 4240116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).