2-chloro-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide

C14H9ClI2N2O2 — CID 137066622

IUPAC2-chloro-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cc(I)cc(I)c1O)c1ccccc1Cl
InChIInChI=1S/C14H9ClI2N2O2/c15-11-4-2-1-3-10(11)14(21)19-18-7-8-5-9(16)6-12(17)13(8)20/h1-7,20H,(H,19,21)/b18-7-
InChIKeyQHTTWEGCNWDDSL-WSVATBPTSA-N
MW526.50 g/mol
LogP4.02
Rot. Bonds3

About 2-chloro-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide

2-chloro-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide (PubChem CID 137066622) has the molecular formula C14H9ClI2N2O2 and a molecular weight of 526.50 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
PubChem CID137066622
Molecular FormulaC14H9ClI2N2O2
Molecular Weight526.50 g/mol
Exact Mass525.84
IUPAC Name2-chloro-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cc(I)cc(I)c1O)c1ccccc1Cl
InChIInChI=1S/C14H9ClI2N2O2/c15-11-4-2-1-3-10(11)14(21)19-18-7-8-5-9(16)6-12(17)13(8)20/h1-7,20H,(H,19,21)/b18-7-
InChIKeyQHTTWEGCNWDDSL-WSVATBPTSA-N
XLogP4.02
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.50
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
CID 615778
2-chloro-N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]benzamide
CID 136749231
4-hydroxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 135894860
2-chloro-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 135642762
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 135782033
N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137066625
N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-methoxybenzamide
CID 5194762
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 135416263
2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide
CID 775121
2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 4002314
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
CID 2247557

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide (CID 137066622) is 2-chloro-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide is O=C(N/N=C\c1cc(I)cc(I)c1O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide?
The InChIKey is QHTTWEGCNWDDSL-WSVATBPTSA-N. The full InChI is InChI=1S/C14H9ClI2N2O2/c15-11-4-2-1-3-10(11)14(21)19-18-7-8-5-9(16)6-12(17)13(8)20/h1-7,20H,(H,19,21)/b18-7-.
What are the key properties of 2-chloro-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide?
2-chloro-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide has a molecular weight of 526.50 g/mol, XLogP of 4.02, 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)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide is sourced from PubChem (CID 137066622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).