N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-phenylacetamide

C15H12I2N2O2 — CID 2841647

IUPACN-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NN=Cc1cc(I)c(O)c(I)c1
InChIInChI=1S/C15H12I2N2O2/c16-12-6-11(7-13(17)15(12)21)9-18-19-14(20)8-10-4-2-1-3-5-10/h1-7,9,21H,8H2,(H,19,20)
InChIKeyFXDSPIZAVNZOKC-UHFFFAOYSA-N
MW506.08 g/mol
LogP3.29
Rot. Bonds4

About N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-phenylacetamide

N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-phenylacetamide (PubChem CID 2841647) has the molecular formula C15H12I2N2O2 and a molecular weight of 506.08 g/mol. Its IUPAC name is N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-phenylacetamide
PubChem CID2841647
Molecular FormulaC15H12I2N2O2
Molecular Weight506.08 g/mol
Exact Mass505.90
IUPAC NameN-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NN=Cc1cc(I)c(O)c(I)c1
InChIInChI=1S/C15H12I2N2O2/c16-12-6-11(7-13(17)15(12)21)9-18-19-14(20)8-10-4-2-1-3-5-10/h1-7,9,21H,8H2,(H,19,20)
InChIKeyFXDSPIZAVNZOKC-UHFFFAOYSA-N
XLogP3.29
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.08
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 136786095
N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
CID 137180791
2-(4-bromophenyl)-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide
CID 135579428
2-(4-bromophenyl)-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19061261
N-[(E)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 135939477
N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515329
N-[(E)-[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 126210731
2-(4-tert-butylphenyl)-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 135678930
N-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide
CID 6899001
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 171985531
2-(2,6-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 136748198
N-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515319

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-phenylacetamide (CID 2841647) is N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-phenylacetamide is O=C(Cc1ccccc1)NN=Cc1cc(I)c(O)c(I)c1.
What is the InChIKey of N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-phenylacetamide?
The InChIKey is FXDSPIZAVNZOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12I2N2O2/c16-12-6-11(7-13(17)15(12)21)9-18-19-14(20)8-10-4-2-1-3-5-10/h1-7,9,21H,8H2,(H,19,20).
What are the key properties of N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-phenylacetamide?
N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-phenylacetamide has a molecular weight of 506.08 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 2841647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).