N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-iodobenzamide

C16H15IN2O2 — CID 5332284

IUPACN-[(E)-(4-ethoxyphenyl)methylideneamino]-3-iodobenzamide
SMILESCCOc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1
InChIInChI=1S/C16H15IN2O2/c1-2-21-15-8-6-12(7-9-15)11-18-19-16(20)13-4-3-5-14(17)10-13/h3-11H,2H2,1H3,(H,19,20)/b18-11+
InChIKeyVYSZHBAQMCNOLL-WOJGMQOQSA-N
MW394.21 g/mol
LogP3.45
Rot. Bonds5

About N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-iodobenzamide

N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-iodobenzamide (PubChem CID 5332284) has the molecular formula C16H15IN2O2 and a molecular weight of 394.21 g/mol. Its IUPAC name is N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-iodobenzamide.

Molecular Properties

Compound NameN-[(E)-(4-ethoxyphenyl)methylideneamino]-3-iodobenzamide
PubChem CID5332284
Molecular FormulaC16H15IN2O2
Molecular Weight394.21 g/mol
Exact Mass394.02
IUPAC NameN-[(E)-(4-ethoxyphenyl)methylideneamino]-3-iodobenzamide
SMILESCCOc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1
InChIInChI=1S/C16H15IN2O2/c1-2-21-15-8-6-12(7-9-15)11-18-19-16(20)13-4-3-5-14(17)10-13/h3-11H,2H2,1H3,(H,19,20)/b18-11+
InChIKeyVYSZHBAQMCNOLL-WOJGMQOQSA-N
XLogP3.45
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.21
LogP ≤ 53.45
H-Bond Donors ≤ 51
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

propan-2-yl 2-[4-[(Z)-[(3-iodobenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 126193130
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-iodobenzamide
CID 94847954
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-iodobenzamide
CID 5430843
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
CID 6241876
N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
CID 4132757
4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
N-[(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-ethoxybenzamide
CID 17246369
3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5499709
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 136671572

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-iodobenzamide?
The IUPAC name of N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-iodobenzamide (CID 5332284) is N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-iodobenzamide.
What is the SMILES notation for N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-iodobenzamide?
The canonical SMILES for N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-iodobenzamide is CCOc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1.
What is the InChIKey of N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-iodobenzamide?
The InChIKey is VYSZHBAQMCNOLL-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H15IN2O2/c1-2-21-15-8-6-12(7-9-15)11-18-19-16(20)13-4-3-5-14(17)10-13/h3-11H,2H2,1H3,(H,19,20)/b18-11+.
What are the key properties of N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-iodobenzamide?
N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-iodobenzamide has a molecular weight of 394.21 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-iodobenzamide is sourced from PubChem (CID 5332284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).