N-hydroxy-4-[(E)-2-[3-(3-hydroxyphenyl)phenyl]ethenyl]benzamide

C21H17NO3 — CID 166633384

IUPACN-hydroxy-4-[(E)-2-[3-(3-hydroxyphenyl)phenyl]ethenyl]benzamide
SMILESO=C(NO)c1ccc(/C=C/c2cccc(-c3cccc(O)c3)c2)cc1
InChIInChI=1S/C21H17NO3/c23-20-6-2-5-19(14-20)18-4-1-3-16(13-18)8-7-15-9-11-17(12-10-15)21(24)22-25/h1-14,23,25H,(H,22,24)/b8-7+
InChIKeyPADLTQZREGKSNE-BQYQJAHWSA-N
MW331.37 g/mol
LogP4.35
Rot. Bonds4

About N-hydroxy-4-[(E)-2-[3-(3-hydroxyphenyl)phenyl]ethenyl]benzamide

N-hydroxy-4-[(E)-2-[3-(3-hydroxyphenyl)phenyl]ethenyl]benzamide (PubChem CID 166633384) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-hydroxy-4-[(E)-2-[3-(3-hydroxyphenyl)phenyl]ethenyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(E)-2-[3-(3-hydroxyphenyl)phenyl]ethenyl]benzamide
PubChem CID166633384
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC NameN-hydroxy-4-[(E)-2-[3-(3-hydroxyphenyl)phenyl]ethenyl]benzamide
SMILESO=C(NO)c1ccc(/C=C/c2cccc(-c3cccc(O)c3)c2)cc1
InChIInChI=1S/C21H17NO3/c23-20-6-2-5-19(14-20)18-4-1-3-16(13-18)8-7-15-9-11-17(12-10-15)21(24)22-25/h1-14,23,25H,(H,22,24)/b8-7+
InChIKeyPADLTQZREGKSNE-BQYQJAHWSA-N
XLogP4.35
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(E)-2-[3-(3-hydroxyphenyl)phenyl]ethenyl]benzamide?
The IUPAC name of N-hydroxy-4-[(E)-2-[3-(3-hydroxyphenyl)phenyl]ethenyl]benzamide (CID 166633384) is N-hydroxy-4-[(E)-2-[3-(3-hydroxyphenyl)phenyl]ethenyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(E)-2-[3-(3-hydroxyphenyl)phenyl]ethenyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(E)-2-[3-(3-hydroxyphenyl)phenyl]ethenyl]benzamide is O=C(NO)c1ccc(/C=C/c2cccc(-c3cccc(O)c3)c2)cc1.
What is the InChIKey of N-hydroxy-4-[(E)-2-[3-(3-hydroxyphenyl)phenyl]ethenyl]benzamide?
The InChIKey is PADLTQZREGKSNE-BQYQJAHWSA-N. The full InChI is InChI=1S/C21H17NO3/c23-20-6-2-5-19(14-20)18-4-1-3-16(13-18)8-7-15-9-11-17(12-10-15)21(24)22-25/h1-14,23,25H,(H,22,24)/b8-7+.
What are the key properties of N-hydroxy-4-[(E)-2-[3-(3-hydroxyphenyl)phenyl]ethenyl]benzamide?
N-hydroxy-4-[(E)-2-[3-(3-hydroxyphenyl)phenyl]ethenyl]benzamide has a molecular weight of 331.37 g/mol, XLogP of 4.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(E)-2-[3-(3-hydroxyphenyl)phenyl]ethenyl]benzamide is sourced from PubChem (CID 166633384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).