N-[(E)-(3,5-diiodo-4-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide

C22H18I2N2O3 — CID 19657766

IUPACN-[(E)-(3,5-diiodo-4-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
SMILESCOc1c(I)cc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)cc1I
InChIInChI=1S/C22H18I2N2O3/c1-28-21-18(23)11-16(12-19(21)24)13-25-26-22(27)17-9-5-6-10-20(17)29-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,26,27)/b25-13+
InChIKeyVWNOJKKRJGLMQK-DHRITJCHSA-N
MW612.21 g/mol
LogP5.25
Rot. Bonds7

About N-[(E)-(3,5-diiodo-4-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide

N-[(E)-(3,5-diiodo-4-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide (PubChem CID 19657766) has the molecular formula C22H18I2N2O3 and a molecular weight of 612.21 g/mol. Its IUPAC name is N-[(E)-(3,5-diiodo-4-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(3,5-diiodo-4-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
PubChem CID19657766
Molecular FormulaC22H18I2N2O3
Molecular Weight612.21 g/mol
Exact Mass611.94
IUPAC NameN-[(E)-(3,5-diiodo-4-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
SMILESCOc1c(I)cc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)cc1I
InChIInChI=1S/C22H18I2N2O3/c1-28-21-18(23)11-16(12-19(21)24)13-25-26-22(27)17-9-5-6-10-20(17)29-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,26,27)/b25-13+
InChIKeyVWNOJKKRJGLMQK-DHRITJCHSA-N
XLogP5.25
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.21
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(E)-[3-iodo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657835
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657742
N-[(E)-[3,5-diiodo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657830
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 135678576
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-methoxybenzamide
CID 137117330
N-[(Z)-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 126368928
N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4937790
N-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 96883251
2-methoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6068795
2-[(2-chlorophenyl)methoxy]-N-[(E)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 19657270
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657832
2-amino-N-[(Z)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 110512033

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-diiodo-4-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
The IUPAC name of N-[(E)-(3,5-diiodo-4-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide (CID 19657766) is N-[(E)-(3,5-diiodo-4-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide.
What is the SMILES notation for N-[(E)-(3,5-diiodo-4-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
The canonical SMILES for N-[(E)-(3,5-diiodo-4-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide is COc1c(I)cc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)cc1I.
What is the InChIKey of N-[(E)-(3,5-diiodo-4-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
The InChIKey is VWNOJKKRJGLMQK-DHRITJCHSA-N. The full InChI is InChI=1S/C22H18I2N2O3/c1-28-21-18(23)11-16(12-19(21)24)13-25-26-22(27)17-9-5-6-10-20(17)29-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,26,27)/b25-13+.
What are the key properties of N-[(E)-(3,5-diiodo-4-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
N-[(E)-(3,5-diiodo-4-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide has a molecular weight of 612.21 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-diiodo-4-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide is sourced from PubChem (CID 19657766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).