4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide

C18H19FN2O — CID 679105

IUPAC4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NN=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O/c1-18(2,3)15-8-6-14(7-9-15)17(22)21-20-12-13-4-10-16(19)11-5-13/h4-12H,1-3H3,(H,21,22)
InChIKeyNOLBCGDEFBYNKB-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.89
Rot. Bonds3

About 4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide

4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide (PubChem CID 679105) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide
PubChem CID679105
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NN=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O/c1-18(2,3)15-8-6-14(7-9-15)17(22)21-20-12-13-4-10-16(19)11-5-13/h4-12H,1-3H3,(H,21,22)
InChIKeyNOLBCGDEFBYNKB-UHFFFAOYSA-N
XLogP3.89
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
N-[(E)-(4-tert-butylphenyl)methylideneamino]-3-fluorobenzamide
CID 6895131
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide
CID 5405739
4-[[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoate
CID 2403681
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
N-[(4-tert-butylphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 2356638
N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
CID 4132757
N-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6906719
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 9461147
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-fluorobenzamide
CID 9016709

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide?
The IUPAC name of 4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide (CID 679105) is 4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide is CC(C)(C)c1ccc(C(=O)NN=Cc2ccc(F)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide?
The InChIKey is NOLBCGDEFBYNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-18(2,3)15-8-6-14(7-9-15)17(22)21-20-12-13-4-10-16(19)11-5-13/h4-12H,1-3H3,(H,21,22).
What are the key properties of 4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide?
4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide has a molecular weight of 298.36 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 679105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).