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

C14H9Cl2IN2O2 — CID 135578397

IUPACN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-iodobenzamide
SMILESO=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1cccc(I)c1
InChIInChI=1S/C14H9Cl2IN2O2/c15-10-4-9(13(20)12(16)6-10)7-18-19-14(21)8-2-1-3-11(17)5-8/h1-7,20H,(H,19,21)/b18-7+
InChIKeyQMDLSDFMQHSXJW-CNHKJKLMSA-N
MW435.05 g/mol
LogP4.07
Rot. Bonds3

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

N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-iodobenzamide (PubChem CID 135578397) has the molecular formula C14H9Cl2IN2O2 and a molecular weight of 435.05 g/mol. Its IUPAC name is N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-iodobenzamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-iodobenzamide
PubChem CID135578397
Molecular FormulaC14H9Cl2IN2O2
Molecular Weight435.05 g/mol
Exact Mass433.91
IUPAC NameN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-iodobenzamide
SMILESO=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1cccc(I)c1
InChIInChI=1S/C14H9Cl2IN2O2/c15-10-4-9(13(20)12(16)6-10)7-18-19-14(21)8-2-1-3-11(17)5-8/h1-7,20H,(H,19,21)/b18-7+
InChIKeyQMDLSDFMQHSXJW-CNHKJKLMSA-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

2-bromo-N'-[(E)-(5-chloro-2-hydroxyphenyl)methylidene]benzohydrazide
CID 135460546
3-chloro-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135478386
3,5-dichloro-N-(cyclopentylideneamino)-2-hydroxybenzamide;hydrochloride
CID 23724165
5-chloro-N'-(cyclohexylmethylene)-2-hydroxybenzohydrazide
CID 9616054
N'-(5-Chloro-2-hydroxybenzylidene)-4-hydroxybenzohydrazide
CID 135400291
4-bromo-N'-(5-chloro-2-hydroxybenzylidene)benzohydrazide
CID 135498020
N'-[(1E)-1-(5-chloro-2-hydroxyphenyl)ethylidene]benzohydrazide
CID 135578375
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide
CID 136200694
4-chloro-N'-[(Z)-(2-hydroxy-3-methylphenyl)methylidene]benzohydrazide
CID 135455144
N'-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidene]benzohydrazide
CID 135418221
N'-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidene]-2-hydroxybenzohydrazide
CID 135455583
2-Hydroxy-5-methyl-benzaldehyde 4-chloro-benzoyl hydrazone
CID 135688213

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-iodobenzamide?
The IUPAC name of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-iodobenzamide (CID 135578397) is N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-iodobenzamide.
What is the SMILES notation for N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-iodobenzamide?
The canonical SMILES for N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-iodobenzamide is O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1cccc(I)c1.
What is the InChIKey of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-iodobenzamide?
The InChIKey is QMDLSDFMQHSXJW-CNHKJKLMSA-N. The full InChI is InChI=1S/C14H9Cl2IN2O2/c15-10-4-9(13(20)12(16)6-10)7-18-19-14(21)8-2-1-3-11(17)5-8/h1-7,20H,(H,19,21)/b18-7+.
What are the key properties of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-iodobenzamide?
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-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-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-iodobenzamide is sourced from PubChem (CID 135578397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).