N-[(E)-(4-tert-butylphenyl)methylideneamino]-2-hydroxy-5-iodobenzamide

C18H19IN2O2 — CID 5335636

IUPACN-[(E)-(4-tert-butylphenyl)methylideneamino]-2-hydroxy-5-iodobenzamide
SMILESCC(C)(C)c1ccc(/C=N/NC(=O)c2cc(I)ccc2O)cc1
InChIInChI=1S/C18H19IN2O2/c1-18(2,3)13-6-4-12(5-7-13)11-20-21-17(23)15-10-14(19)8-9-16(15)22/h4-11,22H,1-3H3,(H,21,23)/b20-11+
InChIKeyJSQHKBDZAZUTRP-RGVLZGJSSA-N
MW422.27 g/mol
LogP4.06
Rot. Bonds3

About N-[(E)-(4-tert-butylphenyl)methylideneamino]-2-hydroxy-5-iodobenzamide

N-[(E)-(4-tert-butylphenyl)methylideneamino]-2-hydroxy-5-iodobenzamide (PubChem CID 5335636) has the molecular formula C18H19IN2O2 and a molecular weight of 422.27 g/mol. Its IUPAC name is N-[(E)-(4-tert-butylphenyl)methylideneamino]-2-hydroxy-5-iodobenzamide.

Molecular Properties

Compound NameN-[(E)-(4-tert-butylphenyl)methylideneamino]-2-hydroxy-5-iodobenzamide
PubChem CID5335636
Molecular FormulaC18H19IN2O2
Molecular Weight422.27 g/mol
Exact Mass422.05
IUPAC NameN-[(E)-(4-tert-butylphenyl)methylideneamino]-2-hydroxy-5-iodobenzamide
SMILESCC(C)(C)c1ccc(/C=N/NC(=O)c2cc(I)ccc2O)cc1
InChIInChI=1S/C18H19IN2O2/c1-18(2,3)13-6-4-12(5-7-13)11-20-21-17(23)15-10-14(19)8-9-16(15)22/h4-11,22H,1-3H3,(H,21,23)/b20-11+
InChIKeyJSQHKBDZAZUTRP-RGVLZGJSSA-N
XLogP4.06
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.27
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-tert-butylphenyl)methylideneamino]-2-hydroxybenzamide
CID 793892
N-[(3-bromophenyl)methylideneamino]-2-hydroxy-5-iodobenzamide
CID 2253634
[4-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-tert-butylbenzoate
CID 3967331
5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 867247
5-bromo-2-hydroxy-N-[(E)-(3-iodophenyl)methylideneamino]benzamide
CID 58811449
4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 679105
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 9461147
5-amino-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5410349
5-amino-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide
CID 4604645
4-tert-butyl-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 923419
5-tert-butyl-N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 5405278
2,4-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 869882

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-tert-butylphenyl)methylideneamino]-2-hydroxy-5-iodobenzamide?
The IUPAC name of N-[(E)-(4-tert-butylphenyl)methylideneamino]-2-hydroxy-5-iodobenzamide (CID 5335636) is N-[(E)-(4-tert-butylphenyl)methylideneamino]-2-hydroxy-5-iodobenzamide.
What is the SMILES notation for N-[(E)-(4-tert-butylphenyl)methylideneamino]-2-hydroxy-5-iodobenzamide?
The canonical SMILES for N-[(E)-(4-tert-butylphenyl)methylideneamino]-2-hydroxy-5-iodobenzamide is CC(C)(C)c1ccc(/C=N/NC(=O)c2cc(I)ccc2O)cc1.
What is the InChIKey of N-[(E)-(4-tert-butylphenyl)methylideneamino]-2-hydroxy-5-iodobenzamide?
The InChIKey is JSQHKBDZAZUTRP-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H19IN2O2/c1-18(2,3)13-6-4-12(5-7-13)11-20-21-17(23)15-10-14(19)8-9-16(15)22/h4-11,22H,1-3H3,(H,21,23)/b20-11+.
What are the key properties of N-[(E)-(4-tert-butylphenyl)methylideneamino]-2-hydroxy-5-iodobenzamide?
N-[(E)-(4-tert-butylphenyl)methylideneamino]-2-hydroxy-5-iodobenzamide has a molecular weight of 422.27 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-tert-butylphenyl)methylideneamino]-2-hydroxy-5-iodobenzamide is sourced from PubChem (CID 5335636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).