4-acetamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide

C16H15N3O3 — CID 135452565

IUPAC4-acetamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C16H15N3O3/c1-11(20)18-14-6-4-13(5-7-14)16(22)19-17-10-12-2-8-15(21)9-3-12/h2-10,21H,1H3,(H,18,20)(H,19,22)/b17-10+
InChIKeyKCOKSVAYPCJBGA-LICLKQGHSA-N
MW297.31 g/mol
LogP2.11
Rot. Bonds4

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

4-acetamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135452565) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-acetamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135452565
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name4-acetamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C16H15N3O3/c1-11(20)18-14-6-4-13(5-7-14)16(22)19-17-10-12-2-8-15(21)9-3-12/h2-10,21H,1H3,(H,18,20)(H,19,22)/b17-10+
InChIKeyKCOKSVAYPCJBGA-LICLKQGHSA-N
XLogP2.11
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.11
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 4-acetamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-acetamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide (CID 135452565) is 4-acetamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-acetamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-acetamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide is CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1.
What is the InChIKey of 4-acetamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is KCOKSVAYPCJBGA-LICLKQGHSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-11(20)18-14-6-4-13(5-7-14)16(22)19-17-10-12-2-8-15(21)9-3-12/h2-10,21H,1H3,(H,18,20)(H,19,22)/b17-10+.
What are the key properties of 4-acetamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide?
4-acetamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 297.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135452565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).