N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxybenzamide

C14H11ClN2O3 — CID 135400291

IUPACN-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxybenzamide
SMILESO=C(N/N=C/c1cc(Cl)ccc1O)c1ccc(O)cc1
InChIInChI=1S/C14H11ClN2O3/c15-11-3-6-13(19)10(7-11)8-16-17-14(20)9-1-4-12(18)5-2-9/h1-8,18-19H,(H,17,20)/b16-8+
InChIKeyYEGJSEASBVRYIO-LZYBPNLTSA-N
MW290.71 g/mol
LogP2.52
Rot. Bonds3

About N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxybenzamide

N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxybenzamide (PubChem CID 135400291) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxybenzamide
PubChem CID135400291
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC NameN-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxybenzamide
SMILESO=C(N/N=C/c1cc(Cl)ccc1O)c1ccc(O)cc1
InChIInChI=1S/C14H11ClN2O3/c15-11-3-6-13(19)10(7-11)8-16-17-14(20)9-1-4-12(18)5-2-9/h1-8,18-19H,(H,17,20)/b16-8+
InChIKeyYEGJSEASBVRYIO-LZYBPNLTSA-N
XLogP2.52
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.52
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)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxybenzamide (CID 135400291) is N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxybenzamide is O=C(N/N=C/c1cc(Cl)ccc1O)c1ccc(O)cc1.
What is the InChIKey of N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxybenzamide?
The InChIKey is YEGJSEASBVRYIO-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-11-3-6-13(19)10(7-11)8-16-17-14(20)9-1-4-12(18)5-2-9/h1-8,18-19H,(H,17,20)/b16-8+.
What are the key properties of N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxybenzamide?
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxybenzamide has a molecular weight of 290.71 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 135400291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).