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

C14H10Cl2N2O3 — CID 135455583

IUPACN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1O
InChIInChI=1S/C14H10Cl2N2O3/c15-9-5-8(13(20)11(16)6-9)7-17-18-14(21)10-3-1-2-4-12(10)19/h1-7,19-20H,(H,18,21)/b17-7+
InChIKeyPMJGWWMIDKKJOA-REZTVBANSA-N
MW325.15 g/mol
LogP3.17
Rot. Bonds3

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

N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide (PubChem CID 135455583) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
PubChem CID135455583
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC NameN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1O
InChIInChI=1S/C14H10Cl2N2O3/c15-9-5-8(13(20)11(16)6-9)7-17-18-14(21)10-3-1-2-4-12(10)19/h1-7,19-20H,(H,18,21)/b17-7+
InChIKeyPMJGWWMIDKKJOA-REZTVBANSA-N
XLogP3.17
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.17
H-Bond Donors ≤ 53
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide (CID 135455583) is N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide is O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1O.
What is the InChIKey of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is PMJGWWMIDKKJOA-REZTVBANSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c15-9-5-8(13(20)11(16)6-9)7-17-18-14(21)10-3-1-2-4-12(10)19/h1-7,19-20H,(H,18,21)/b17-7+.
What are the key properties of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide?
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide has a molecular weight of 325.15 g/mol, XLogP of 3.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 135455583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).