N-[(E)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methylanilino)acetamide

C16H15I2N3O2 — CID 135939477

IUPACN-[(E)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methylanilino)acetamide
SMILESCc1ccccc1NCC(=O)N/N=C/c1cc(I)c(O)c(I)c1
InChIInChI=1S/C16H15I2N3O2/c1-10-4-2-3-5-14(10)19-9-15(22)21-20-8-11-6-12(17)16(23)13(18)7-11/h2-8,19,23H,9H2,1H3,(H,21,22)/b20-8+
InChIKeyMJUKRXYINHFHSB-DNTJNYDQSA-N
MW535.12 g/mol
LogP3.47
Rot. Bonds5

About N-[(E)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methylanilino)acetamide

N-[(E)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methylanilino)acetamide (PubChem CID 135939477) has the molecular formula C16H15I2N3O2 and a molecular weight of 535.12 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methylanilino)acetamide
PubChem CID135939477
Molecular FormulaC16H15I2N3O2
Molecular Weight535.12 g/mol
Exact Mass534.93
IUPAC NameN-[(E)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methylanilino)acetamide
SMILESCc1ccccc1NCC(=O)N/N=C/c1cc(I)c(O)c(I)c1
InChIInChI=1S/C16H15I2N3O2/c1-10-4-2-3-5-14(10)19-9-15(22)21-20-8-11-6-12(17)16(23)13(18)7-11/h2-8,19,23H,9H2,1H3,(H,21,22)/b20-8+
InChIKeyMJUKRXYINHFHSB-DNTJNYDQSA-N
XLogP3.47
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.12
LogP ≤ 53.47
H-Bond Donors ≤ 53
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

N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 171985531
N-[(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 4573308
N-[(3,4-dichlorophenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 4111290
2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 870845
N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-phenylacetamide
CID 2841647
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methylanilino)acetamide
CID 5414254
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 135419703
2-(2,6-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 136748198
N-(benzylideneamino)-2-(2,4-dimethylanilino)acetamide
CID 967979
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 135541691
2-(2-methylanilino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 6872977
2-(3,4-dimethylanilino)-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide
CID 135788625

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methylanilino)acetamide?
The IUPAC name of N-[(E)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methylanilino)acetamide (CID 135939477) is N-[(E)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methylanilino)acetamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methylanilino)acetamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methylanilino)acetamide is Cc1ccccc1NCC(=O)N/N=C/c1cc(I)c(O)c(I)c1.
What is the InChIKey of N-[(E)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methylanilino)acetamide?
The InChIKey is MJUKRXYINHFHSB-DNTJNYDQSA-N. The full InChI is InChI=1S/C16H15I2N3O2/c1-10-4-2-3-5-14(10)19-9-15(22)21-20-8-11-6-12(17)16(23)13(18)7-11/h2-8,19,23H,9H2,1H3,(H,21,22)/b20-8+.
What are the key properties of N-[(E)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methylanilino)acetamide?
N-[(E)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methylanilino)acetamide has a molecular weight of 535.12 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methylanilino)acetamide is sourced from PubChem (CID 135939477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).