N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide

C16H15IN2O4 — CID 135559989

IUPACN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
SMILESCOc1cc(/C=N/NC(=O)c2ccc(OC)c(I)c2)ccc1O
InChIInChI=1S/C16H15IN2O4/c1-22-14-6-4-11(8-12(14)17)16(21)19-18-9-10-3-5-13(20)15(7-10)23-2/h3-9,20H,1-2H3,(H,19,21)/b18-9+
InChIKeyGVLFJURRNWNIIO-GIJQJNRQSA-N
MW426.21 g/mol
LogP2.78
Rot. Bonds5

About N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide (PubChem CID 135559989) has the molecular formula C16H15IN2O4 and a molecular weight of 426.21 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
PubChem CID135559989
Molecular FormulaC16H15IN2O4
Molecular Weight426.21 g/mol
Exact Mass426.01
IUPAC NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
SMILESCOc1cc(/C=N/NC(=O)c2ccc(OC)c(I)c2)ccc1O
InChIInChI=1S/C16H15IN2O4/c1-22-14-6-4-11(8-12(14)17)16(21)19-18-9-10-3-5-13(20)15(7-10)23-2/h3-9,20H,1-2H3,(H,19,21)/b18-9+
InChIKeyGVLFJURRNWNIIO-GIJQJNRQSA-N
XLogP2.78
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.21
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
3-iodo-4-methoxy-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6117559
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 136697673
4-bromo-N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]benzamide
CID 5339727
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 135931429
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;methanol
CID 139073608
4-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-sulfamoylbenzamide
CID 135582522
4-(aminomethyl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135899399
1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135458974
4-ethoxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 137122802
3-bromo-N-[(3-iodo-4-methoxyphenyl)methylideneamino]benzamide
CID 71951596
4-ethoxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135716598

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide (CID 135559989) is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide is COc1cc(/C=N/NC(=O)c2ccc(OC)c(I)c2)ccc1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide?
The InChIKey is GVLFJURRNWNIIO-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H15IN2O4/c1-22-14-6-4-11(8-12(14)17)16(21)19-18-9-10-3-5-13(20)15(7-10)23-2/h3-9,20H,1-2H3,(H,19,21)/b18-9+.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide?
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide has a molecular weight of 426.21 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide is sourced from PubChem (CID 135559989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).