N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodobenzamide

C15H12ClIN2O3 — CID 135533719

IUPACN-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodobenzamide
SMILESCOc1cc(Cl)cc(/C=N\NC(=O)c2cccc(I)c2)c1O
InChIInChI=1S/C15H12ClIN2O3/c1-22-13-7-11(16)5-10(14(13)20)8-18-19-15(21)9-3-2-4-12(17)6-9/h2-8,20H,1H3,(H,19,21)/b18-8-
InChIKeyWNIBICBHCXULRN-LSCVHKIXSA-N
MW430.63 g/mol
LogP3.42
Rot. Bonds4

About N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodobenzamide

N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodobenzamide (PubChem CID 135533719) has the molecular formula C15H12ClIN2O3 and a molecular weight of 430.63 g/mol. Its IUPAC name is N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodobenzamide.

Molecular Properties

Compound NameN-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodobenzamide
PubChem CID135533719
Molecular FormulaC15H12ClIN2O3
Molecular Weight430.63 g/mol
Exact Mass429.96
IUPAC NameN-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodobenzamide
SMILESCOc1cc(Cl)cc(/C=N\NC(=O)c2cccc(I)c2)c1O
InChIInChI=1S/C15H12ClIN2O3/c1-22-13-7-11(16)5-10(14(13)20)8-18-19-15(21)9-3-2-4-12(17)6-9/h2-8,20H,1H3,(H,19,21)/b18-8-
InChIKeyWNIBICBHCXULRN-LSCVHKIXSA-N
XLogP3.42
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.63
LogP ≤ 53.42
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

N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 136661357
N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135643439
N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 137062731
N-[(E)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 135446787
5-bromo-N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 136792612
N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-iodobenzamide
CID 5430843
3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 913510
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-3-iodobenzamide
CID 4042622
N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodobenzamide
CID 5435276
N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135884091
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136912832
N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-methoxybenzamide
CID 5194762

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodobenzamide?
The IUPAC name of N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodobenzamide (CID 135533719) is N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodobenzamide.
What is the SMILES notation for N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodobenzamide?
The canonical SMILES for N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodobenzamide is COc1cc(Cl)cc(/C=N\NC(=O)c2cccc(I)c2)c1O.
What is the InChIKey of N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodobenzamide?
The InChIKey is WNIBICBHCXULRN-LSCVHKIXSA-N. The full InChI is InChI=1S/C15H12ClIN2O3/c1-22-13-7-11(16)5-10(14(13)20)8-18-19-15(21)9-3-2-4-12(17)6-9/h2-8,20H,1H3,(H,19,21)/b18-8-.
What are the key properties of N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodobenzamide?
N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodobenzamide has a molecular weight of 430.63 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodobenzamide is sourced from PubChem (CID 135533719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).