2,3,4-trihydroxy-N-(4-phenylphenyl)benzamide

C19H15NO4 — CID 139689164

IUPAC2,3,4-trihydroxy-N-(4-phenylphenyl)benzamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(O)c(O)c1O
InChIInChI=1S/C19H15NO4/c21-16-11-10-15(17(22)18(16)23)19(24)20-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11,21-23H,(H,20,24)
InChIKeyPWABDBDEOCEAIQ-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.72
Rot. Bonds3

About 2,3,4-trihydroxy-N-(4-phenylphenyl)benzamide

2,3,4-trihydroxy-N-(4-phenylphenyl)benzamide (PubChem CID 139689164) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2,3,4-trihydroxy-N-(4-phenylphenyl)benzamide.

Molecular Properties

Compound Name2,3,4-trihydroxy-N-(4-phenylphenyl)benzamide
PubChem CID139689164
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name2,3,4-trihydroxy-N-(4-phenylphenyl)benzamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(O)c(O)c1O
InChIInChI=1S/C19H15NO4/c21-16-11-10-15(17(22)18(16)23)19(24)20-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11,21-23H,(H,20,24)
InChIKeyPWABDBDEOCEAIQ-UHFFFAOYSA-N
XLogP3.72
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-formamido-2-hydroxy-N-(4-phenylphenyl)benzamide
CID 18551363
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 114343235
2-hydroxy-3,5-diiodo-N-(4-phenylphenyl)benzamide
CID 90645537
N-(4-hydroxyphenyl)-2-(4-phenylphenyl)acetamide
CID 71422853
N-[4-(aminomethyl)phenyl]-2,3-dihydroxybenzamide
CID 114343071
2-hydroxy-N-phenylbenzamide
CID 157209959
2-benzamido-N-(4-phenylphenyl)benzamide
CID 5224038
2-hydroxy-N-phenylbenzamide chloride
CID 19021936
N-(4-phenylphenyl)acetamide
CID 19998
2-phenoxy-N-(4-phenylphenyl)benzamide
CID 7926007
2-nitro-N-(4-phenylphenyl)benzamide
CID 3096329

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trihydroxy-N-(4-phenylphenyl)benzamide?
The IUPAC name of 2,3,4-trihydroxy-N-(4-phenylphenyl)benzamide (CID 139689164) is 2,3,4-trihydroxy-N-(4-phenylphenyl)benzamide.
What is the SMILES notation for 2,3,4-trihydroxy-N-(4-phenylphenyl)benzamide?
The canonical SMILES for 2,3,4-trihydroxy-N-(4-phenylphenyl)benzamide is O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(O)c(O)c1O.
What is the InChIKey of 2,3,4-trihydroxy-N-(4-phenylphenyl)benzamide?
The InChIKey is PWABDBDEOCEAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c21-16-11-10-15(17(22)18(16)23)19(24)20-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11,21-23H,(H,20,24).
What are the key properties of 2,3,4-trihydroxy-N-(4-phenylphenyl)benzamide?
2,3,4-trihydroxy-N-(4-phenylphenyl)benzamide has a molecular weight of 321.33 g/mol, XLogP of 3.72, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trihydroxy-N-(4-phenylphenyl)benzamide is sourced from PubChem (CID 139689164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).