4-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide

C16H14ClIN2O3 — CID 135579323

IUPAC4-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide
SMILESCCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1O
InChIInChI=1S/C16H14ClIN2O3/c1-2-23-14-8-10(7-13(18)15(14)21)9-19-20-16(22)11-3-5-12(17)6-4-11/h3-9,21H,2H2,1H3,(H,20,22)/b19-9+
InChIKeyUSNJKZUOSZDDMN-DJKKODMXSA-N
MW444.66 g/mol
LogP3.81
Rot. Bonds5

About 4-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide

4-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide (PubChem CID 135579323) has the molecular formula C16H14ClIN2O3 and a molecular weight of 444.66 g/mol. Its IUPAC name is 4-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide
PubChem CID135579323
Molecular FormulaC16H14ClIN2O3
Molecular Weight444.66 g/mol
Exact Mass443.97
IUPAC Name4-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide
SMILESCCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1O
InChIInChI=1S/C16H14ClIN2O3/c1-2-23-14-8-10(7-13(18)15(14)21)9-19-20-16(22)11-3-5-12(17)6-4-11/h3-9,21H,2H2,1H3,(H,20,22)/b19-9+
InChIKeyUSNJKZUOSZDDMN-DJKKODMXSA-N
XLogP3.81
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.66
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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

4-chloro-N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 135644310
N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-4-methylbenzamide
CID 137068277
N-(4-chlorophenyl)-N'-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]propanediamide
CID 3509912
3,4-diethoxy-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]benzamide
CID 137068545
4-chloro-N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 135643459
N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-3-methylbenzamide
CID 137051313
2-chloro-N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-4-methylbenzamide
CID 135926013
N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 136758877
N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 137085188
2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 135833086
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3,4-diethoxybenzamide
CID 126325701
N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-methoxybenzamide
CID 137117417

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide (CID 135579323) is 4-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide is CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1O.
What is the InChIKey of 4-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide?
The InChIKey is USNJKZUOSZDDMN-DJKKODMXSA-N. The full InChI is InChI=1S/C16H14ClIN2O3/c1-2-23-14-8-10(7-13(18)15(14)21)9-19-20-16(22)11-3-5-12(17)6-4-11/h3-9,21H,2H2,1H3,(H,20,22)/b19-9+.
What are the key properties of 4-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide?
4-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide has a molecular weight of 444.66 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide is sourced from PubChem (CID 135579323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).