3,4-dihydroxy-N-phenylmethoxybenzamide

C14H13NO4 — CID 91664812

IUPAC3,4-dihydroxy-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1ccc(O)c(O)c1
InChIInChI=1S/C14H13NO4/c16-12-7-6-11(8-13(12)17)14(18)15-19-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2,(H,15,18)
InChIKeyVJIRYSUCPATYAX-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.96
Rot. Bonds4

About 3,4-dihydroxy-N-phenylmethoxybenzamide

3,4-dihydroxy-N-phenylmethoxybenzamide (PubChem CID 91664812) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3,4-dihydroxy-N-phenylmethoxybenzamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-phenylmethoxybenzamide
PubChem CID91664812
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name3,4-dihydroxy-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1ccc(O)c(O)c1
InChIInChI=1S/C14H13NO4/c16-12-7-6-11(8-13(12)17)14(18)15-19-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2,(H,15,18)
InChIKeyVJIRYSUCPATYAX-UHFFFAOYSA-N
XLogP1.96
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-N-phenylmethoxybenzamide
CID 9227272
4-bromo-N-phenylmethoxybenzamide
CID 41450559
4-(phenoxymethyl)-N-phenylmethoxybenzamide
CID 41450965
[4-(phenylmethoxycarbamoyl)phenyl]methylcarbamic acid
CID 87545095
3-(methylsulfanylmethyl)-N-phenylmethoxybenzamide
CID 30796114
6-methyl-N-phenylmethoxypyridine-3-carboxamide
CID 18149129
3,4-bis(2-methoxyethoxymethoxy)-N-phenylmethoxybenzamide
CID 131887821
N-[(4-methylphenyl)methoxy]benzamide
CID 2366824
4-chloro-3-(methylsulfamoyl)-N-phenylmethoxybenzamide
CID 9227450
4-bromo-3-(dimethylsulfamoyl)-N-phenylmethoxybenzamide
CID 9227498
4-(diethylaminomethyl)-N-phenylmethoxybenzamide
CID 38036519
3-bromo-5-chloro-N-phenylmethoxybenzamide
CID 103826514

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-phenylmethoxybenzamide?
The IUPAC name of 3,4-dihydroxy-N-phenylmethoxybenzamide (CID 91664812) is 3,4-dihydroxy-N-phenylmethoxybenzamide.
What is the SMILES notation for 3,4-dihydroxy-N-phenylmethoxybenzamide?
The canonical SMILES for 3,4-dihydroxy-N-phenylmethoxybenzamide is O=C(NOCc1ccccc1)c1ccc(O)c(O)c1.
What is the InChIKey of 3,4-dihydroxy-N-phenylmethoxybenzamide?
The InChIKey is VJIRYSUCPATYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-12-7-6-11(8-13(12)17)14(18)15-19-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2,(H,15,18).
What are the key properties of 3,4-dihydroxy-N-phenylmethoxybenzamide?
3,4-dihydroxy-N-phenylmethoxybenzamide has a molecular weight of 259.26 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-N-phenylmethoxybenzamide is sourced from PubChem (CID 91664812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).