4-[(E)-hydroxyiminomethyl]-N,N-bis(4-hydroxyphenyl)benzamide

C20H16N2O4 — CID 25117286

IUPAC4-[(E)-hydroxyiminomethyl]-N,N-bis(4-hydroxyphenyl)benzamide
SMILESO=C(c1ccc(/C=N/O)cc1)N(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H16N2O4/c23-18-9-5-16(6-10-18)22(17-7-11-19(24)12-8-17)20(25)15-3-1-14(2-4-15)13-21-26/h1-13,23-24,26H/b21-13+
InChIKeyUPUKIMLWWKFHGH-FYJGNVAPSA-N
MW348.36 g/mol
LogP3.88
Rot. Bonds4

About 4-[(E)-hydroxyiminomethyl]-N,N-bis(4-hydroxyphenyl)benzamide

4-[(E)-hydroxyiminomethyl]-N,N-bis(4-hydroxyphenyl)benzamide (PubChem CID 25117286) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 4-[(E)-hydroxyiminomethyl]-N,N-bis(4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(E)-hydroxyiminomethyl]-N,N-bis(4-hydroxyphenyl)benzamide
PubChem CID25117286
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name4-[(E)-hydroxyiminomethyl]-N,N-bis(4-hydroxyphenyl)benzamide
SMILESO=C(c1ccc(/C=N/O)cc1)N(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H16N2O4/c23-18-9-5-16(6-10-18)22(17-7-11-19(24)12-8-17)20(25)15-3-1-14(2-4-15)13-21-26/h1-13,23-24,26H/b21-13+
InChIKeyUPUKIMLWWKFHGH-FYJGNVAPSA-N
XLogP3.88
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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-[(E)-hydroxyiminomethyl]-N,N-bis(4-hydroxyphenyl)benzamide?
The IUPAC name of 4-[(E)-hydroxyiminomethyl]-N,N-bis(4-hydroxyphenyl)benzamide (CID 25117286) is 4-[(E)-hydroxyiminomethyl]-N,N-bis(4-hydroxyphenyl)benzamide.
What is the SMILES notation for 4-[(E)-hydroxyiminomethyl]-N,N-bis(4-hydroxyphenyl)benzamide?
The canonical SMILES for 4-[(E)-hydroxyiminomethyl]-N,N-bis(4-hydroxyphenyl)benzamide is O=C(c1ccc(/C=N/O)cc1)N(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-hydroxyiminomethyl]-N,N-bis(4-hydroxyphenyl)benzamide?
The InChIKey is UPUKIMLWWKFHGH-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H16N2O4/c23-18-9-5-16(6-10-18)22(17-7-11-19(24)12-8-17)20(25)15-3-1-14(2-4-15)13-21-26/h1-13,23-24,26H/b21-13+.
What are the key properties of 4-[(E)-hydroxyiminomethyl]-N,N-bis(4-hydroxyphenyl)benzamide?
4-[(E)-hydroxyiminomethyl]-N,N-bis(4-hydroxyphenyl)benzamide has a molecular weight of 348.36 g/mol, XLogP of 3.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-hydroxyiminomethyl]-N,N-bis(4-hydroxyphenyl)benzamide is sourced from PubChem (CID 25117286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).