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

C14H10Cl2N2O2 — CID 693534

IUPAC3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide
SMILESNC(=O)c1cccc(/N=C/c2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C14H10Cl2N2O2/c15-10-4-9(13(19)12(16)6-10)7-18-11-3-1-2-8(5-11)14(17)20/h1-7,19H,(H2,17,20)/b18-7+
InChIKeyRRSJFCZUAOKWEF-CNHKJKLMSA-N
MW309.15 g/mol
LogP3.55
Rot. Bonds3

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

3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 693534) has the molecular formula C14H10Cl2N2O2 and a molecular weight of 309.15 g/mol. Its IUPAC name is 3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID693534
Molecular FormulaC14H10Cl2N2O2
Molecular Weight309.15 g/mol
Exact Mass308.01
IUPAC Name3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide
SMILESNC(=O)c1cccc(/N=C/c2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C14H10Cl2N2O2/c15-10-4-9(13(19)12(16)6-10)7-18-11-3-1-2-8(5-11)14(17)20/h1-7,19H,(H2,17,20)/b18-7+
InChIKeyRRSJFCZUAOKWEF-CNHKJKLMSA-N
XLogP3.55
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide (CID 693534) is 3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide is NC(=O)c1cccc(/N=C/c2cc(Cl)cc(Cl)c2O)c1.
What is the InChIKey of 3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is RRSJFCZUAOKWEF-CNHKJKLMSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2/c15-10-4-9(13(19)12(16)6-10)7-18-11-3-1-2-8(5-11)14(17)20/h1-7,19H,(H2,17,20)/b18-7+.
What are the key properties of 3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide?
3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 309.15 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 693534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).