N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide

C14H9Cl2IN2O2 — CID 615778

IUPACN-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
SMILESO=C(NN=Cc1cc(Cl)cc(Cl)c1O)c1ccccc1I
InChIInChI=1S/C14H9Cl2IN2O2/c15-9-5-8(13(20)11(16)6-9)7-18-19-14(21)10-3-1-2-4-12(10)17/h1-7,20H,(H,19,21)
InChIKeyZODRBVVXZVJGEN-UHFFFAOYSA-N
MW435.05 g/mol
LogP4.07
Rot. Bonds3

About N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide

N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide (PubChem CID 615778) has the molecular formula C14H9Cl2IN2O2 and a molecular weight of 435.05 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
PubChem CID615778
Molecular FormulaC14H9Cl2IN2O2
Molecular Weight435.05 g/mol
Exact Mass433.91
IUPAC NameN-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
SMILESO=C(NN=Cc1cc(Cl)cc(Cl)c1O)c1ccccc1I
InChIInChI=1S/C14H9Cl2IN2O2/c15-9-5-8(13(20)11(16)6-9)7-18-19-14(21)10-3-1-2-4-12(10)17/h1-7,20H,(H,19,21)
InChIKeyZODRBVVXZVJGEN-UHFFFAOYSA-N
XLogP4.07
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.05
LogP ≤ 54.07
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-fluorobenzamide
CID 137127853
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-[[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamothioylamino]benzamide
CID 135520646
2-chloro-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 137066622
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
CID 2247557
3,5-dichloro-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135578608
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135613420
cobalt(2+);bis(2,4-dichloro-6-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate)
CID 5386751
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 136794136
N-[(Z)-(2-bromophenyl)methylideneamino]-3,5-dichloro-2-hydroxybenzamide
CID 7326637
copper bis([2,4-dichloro-6-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]oxidanium)
CID 50910310
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 135562319
N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-methylbenzamide
CID 137069281

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide?
The IUPAC name of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide (CID 615778) is N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide.
What is the SMILES notation for N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide?
The canonical SMILES for N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide is O=C(NN=Cc1cc(Cl)cc(Cl)c1O)c1ccccc1I.
What is the InChIKey of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide?
The InChIKey is ZODRBVVXZVJGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2IN2O2/c15-9-5-8(13(20)11(16)6-9)7-18-19-14(21)10-3-1-2-4-12(10)17/h1-7,20H,(H,19,21).
What are the key properties of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide?
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide has a molecular weight of 435.05 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide is sourced from PubChem (CID 615778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).