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

C17H16I2N2O3 — CID 136848828

IUPACN-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C\c2cc(I)cc(I)c2O)cc1
InChIInChI=1S/C17H16I2N2O3/c1-2-7-24-14-5-3-11(4-6-14)17(23)21-20-10-12-8-13(18)9-15(19)16(12)22/h3-6,8-10,22H,2,7H2,1H3,(H,21,23)/b20-10-
InChIKeyFVCAHODKBDIHKO-JMIUGGIZSA-N
MW550.13 g/mol
LogP4.15
Rot. Bonds6

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

N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-propoxybenzamide (PubChem CID 136848828) has the molecular formula C17H16I2N2O3 and a molecular weight of 550.13 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-propoxybenzamide
PubChem CID136848828
Molecular FormulaC17H16I2N2O3
Molecular Weight550.13 g/mol
Exact Mass549.93
IUPAC NameN-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C\c2cc(I)cc(I)c2O)cc1
InChIInChI=1S/C17H16I2N2O3/c1-2-7-24-14-5-3-11(4-6-14)17(23)21-20-10-12-8-13(18)9-15(19)16(12)22/h3-6,8-10,22H,2,7H2,1H3,(H,21,23)/b20-10-
InChIKeyFVCAHODKBDIHKO-JMIUGGIZSA-N
XLogP4.15
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.13
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

4-ethoxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 137066620
4-hydroxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 135894860
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-methoxybenzamide
CID 5194762
N-[(Z)-(2-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92659049
N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 135479567
N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 133169716
4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136762755
N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-4-propoxybenzamide
CID 99945386
N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92658946
N-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 51391605
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 136695790

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-propoxybenzamide?
The IUPAC name of N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-propoxybenzamide (CID 136848828) is N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-propoxybenzamide.
What is the SMILES notation for N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-propoxybenzamide?
The canonical SMILES for N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-propoxybenzamide is CCCOc1ccc(C(=O)N/N=C\c2cc(I)cc(I)c2O)cc1.
What is the InChIKey of N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-propoxybenzamide?
The InChIKey is FVCAHODKBDIHKO-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H16I2N2O3/c1-2-7-24-14-5-3-11(4-6-14)17(23)21-20-10-12-8-13(18)9-15(19)16(12)22/h3-6,8-10,22H,2,7H2,1H3,(H,21,23)/b20-10-.
What are the key properties of N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-propoxybenzamide?
N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-propoxybenzamide has a molecular weight of 550.13 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-propoxybenzamide is sourced from PubChem (CID 136848828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).