N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(4-iodophenoxy)acetamide

C15H13IN2O4 — CID 135614205

IUPACN-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
SMILESO=C(COc1ccc(I)cc1)N/N=C/c1ccc(O)c(O)c1
InChIInChI=1S/C15H13IN2O4/c16-11-2-4-12(5-3-11)22-9-15(21)18-17-8-10-1-6-13(19)14(20)7-10/h1-8,19-20H,9H2,(H,18,21)/b17-8+
InChIKeyCHKGDTQLAYXYRF-CAOOACKPSA-N
MW412.18 g/mol
LogP2.23
Rot. Bonds5

About N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(4-iodophenoxy)acetamide

N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(4-iodophenoxy)acetamide (PubChem CID 135614205) has the molecular formula C15H13IN2O4 and a molecular weight of 412.18 g/mol. Its IUPAC name is N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(4-iodophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
PubChem CID135614205
Molecular FormulaC15H13IN2O4
Molecular Weight412.18 g/mol
Exact Mass411.99
IUPAC NameN-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
SMILESO=C(COc1ccc(I)cc1)N/N=C/c1ccc(O)c(O)c1
InChIInChI=1S/C15H13IN2O4/c16-11-2-4-12(5-3-11)22-9-15(21)18-17-8-10-1-6-13(19)14(20)7-10/h1-8,19-20H,9H2,(H,18,21)/b17-8+
InChIKeyCHKGDTQLAYXYRF-CAOOACKPSA-N
XLogP2.23
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.18
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenoxy)-N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]acetamide
CID 136749235
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 135852679
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 1240410
N-[(4-hydroxy-3-methylphenyl)methylideneamino]-2-[4-[2-[2-[(4-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide
CID 136506605
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 7326687
N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[4-[2-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide
CID 89119467
methyl 4-[[[2-(4-iodophenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 1381755
N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 5404952
2-(4-iodophenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 5334791
2-(4-tert-butylphenoxy)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 2305878
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2,6-dimethylphenoxy)acetamide
CID 135615101
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 136824462

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(4-iodophenoxy)acetamide?
The IUPAC name of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(4-iodophenoxy)acetamide (CID 135614205) is N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(4-iodophenoxy)acetamide.
What is the SMILES notation for N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(4-iodophenoxy)acetamide?
The canonical SMILES for N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(4-iodophenoxy)acetamide is O=C(COc1ccc(I)cc1)N/N=C/c1ccc(O)c(O)c1.
What is the InChIKey of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(4-iodophenoxy)acetamide?
The InChIKey is CHKGDTQLAYXYRF-CAOOACKPSA-N. The full InChI is InChI=1S/C15H13IN2O4/c16-11-2-4-12(5-3-11)22-9-15(21)18-17-8-10-1-6-13(19)14(20)7-10/h1-8,19-20H,9H2,(H,18,21)/b17-8+.
What are the key properties of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(4-iodophenoxy)acetamide?
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(4-iodophenoxy)acetamide has a molecular weight of 412.18 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(4-iodophenoxy)acetamide is sourced from PubChem (CID 135614205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).