2-benzamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide

C21H17N3O3 — CID 135625843

IUPAC2-benzamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C/c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C21H17N3O3/c25-17-12-10-15(11-13-17)14-22-24-21(27)18-8-4-5-9-19(18)23-20(26)16-6-2-1-3-7-16/h1-14,25H,(H,23,26)(H,24,27)/b22-14+
InChIKeyKNYSRDQTRDCONU-HYARGMPZSA-N
MW359.39 g/mol
LogP3.41
Rot. Bonds5

About 2-benzamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide

2-benzamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135625843) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-benzamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-benzamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135625843
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name2-benzamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C/c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C21H17N3O3/c25-17-12-10-15(11-13-17)14-22-24-21(27)18-8-4-5-9-19(18)23-20(26)16-6-2-1-3-7-16/h1-14,25H,(H,23,26)(H,24,27)/b22-14+
InChIKeyKNYSRDQTRDCONU-HYARGMPZSA-N
XLogP3.41
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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 2-benzamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-benzamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide (CID 135625843) is 2-benzamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-benzamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-benzamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide is O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(O)cc1)c1ccccc1.
What is the InChIKey of 2-benzamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is KNYSRDQTRDCONU-HYARGMPZSA-N. The full InChI is InChI=1S/C21H17N3O3/c25-17-12-10-15(11-13-17)14-22-24-21(27)18-8-4-5-9-19(18)23-20(26)16-6-2-1-3-7-16/h1-14,25H,(H,23,26)(H,24,27)/b22-14+.
What are the key properties of 2-benzamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide?
2-benzamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 359.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135625843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).