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

C14H10Cl2N2O3 — CID 135578608

IUPAC3,5-dichloro-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccc1O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H10Cl2N2O3/c15-9-5-10(13(20)11(16)6-9)14(21)18-17-7-8-3-1-2-4-12(8)19/h1-7,19-20H,(H,18,21)/b17-7+
InChIKeyFZUWOTWISKUYFN-REZTVBANSA-N
MW325.15 g/mol
LogP3.17
Rot. Bonds3

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

3,5-dichloro-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135578608) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 3,5-dichloro-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,5-dichloro-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135578608
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC Name3,5-dichloro-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccc1O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H10Cl2N2O3/c15-9-5-10(13(20)11(16)6-9)14(21)18-17-7-8-3-1-2-4-12(8)19/h1-7,19-20H,(H,18,21)/b17-7+
InChIKeyFZUWOTWISKUYFN-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 3,5-dichloro-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3,5-dichloro-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide (CID 135578608) is 3,5-dichloro-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3,5-dichloro-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3,5-dichloro-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1ccccc1O)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is FZUWOTWISKUYFN-REZTVBANSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c15-9-5-10(13(20)11(16)6-9)14(21)18-17-7-8-3-1-2-4-12(8)19/h1-7,19-20H,(H,18,21)/b17-7+.
What are the key properties of 3,5-dichloro-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
3,5-dichloro-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide 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 3,5-dichloro-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135578608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).