2-chloro-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide

C14H10ClIN2O2 — CID 135642762

IUPAC2-chloro-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(O)c(I)c1)c1ccccc1Cl
InChIInChI=1S/C14H10ClIN2O2/c15-11-4-2-1-3-10(11)14(20)18-17-8-9-5-6-13(19)12(16)7-9/h1-8,19H,(H,18,20)/b17-8-
InChIKeyCYAYPJASOFMHPJ-IUXPMGMMSA-N
MW400.60 g/mol
LogP3.41
Rot. Bonds3

About 2-chloro-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide

2-chloro-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide (PubChem CID 135642762) has the molecular formula C14H10ClIN2O2 and a molecular weight of 400.60 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
PubChem CID135642762
Molecular FormulaC14H10ClIN2O2
Molecular Weight400.60 g/mol
Exact Mass399.95
IUPAC Name2-chloro-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(O)c(I)c1)c1ccccc1Cl
InChIInChI=1S/C14H10ClIN2O2/c15-11-4-2-1-3-10(11)14(20)18-17-8-9-5-6-13(19)12(16)7-9/h1-8,19H,(H,18,20)/b17-8-
InChIKeyCYAYPJASOFMHPJ-IUXPMGMMSA-N
XLogP3.41
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.60
LogP ≤ 53.41
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

2-chloro-N-[(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide
CID 4036296
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 137151823
2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135696942
2-chloro-N-[(3-chlorophenyl)methylideneamino]benzamide
CID 689911
3-hydroxy-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 137080354
2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 4002314
2-chloro-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 137066622
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509238
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-iodobenzamide
CID 1123704
2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136852060
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-chlorobenzamide
CID 5450738

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide (CID 135642762) is 2-chloro-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide is O=C(N/N=C\c1ccc(O)c(I)c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide?
The InChIKey is CYAYPJASOFMHPJ-IUXPMGMMSA-N. The full InChI is InChI=1S/C14H10ClIN2O2/c15-11-4-2-1-3-10(11)14(20)18-17-8-9-5-6-13(19)12(16)7-9/h1-8,19H,(H,18,20)/b17-8-.
What are the key properties of 2-chloro-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide?
2-chloro-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide has a molecular weight of 400.60 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide is sourced from PubChem (CID 135642762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).