3,4-dihydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide

C15H15NO4 — CID 103956150

IUPAC3,4-dihydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(CO)c1)c1ccc(O)c(O)c1
InChIInChI=1S/C15H15NO4/c17-9-11-3-1-2-10(6-11)8-16-15(20)12-4-5-13(18)14(19)7-12/h1-7,17-19H,8-9H2,(H,16,20)
InChIKeyYHIOKBYZDUDTMI-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.52
Rot. Bonds4

About 3,4-dihydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide

3,4-dihydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide (PubChem CID 103956150) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3,4-dihydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
PubChem CID103956150
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name3,4-dihydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(CO)c1)c1ccc(O)c(O)c1
InChIInChI=1S/C15H15NO4/c17-9-11-3-1-2-10(6-11)8-16-15(20)12-4-5-13(18)14(19)7-12/h1-7,17-19H,8-9H2,(H,16,20)
InChIKeyYHIOKBYZDUDTMI-UHFFFAOYSA-N
XLogP1.52
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.52
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

4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311474
3-[[(3,4-dihydroxybenzoyl)amino]methyl]benzoic acid
CID 107728027
3-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide
CID 79589957
4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103796375
4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 107216600
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
4-bromo-3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 81002022
N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 55204660
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide
CID 107210223
3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylbenzamide
CID 115663338
N-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide
CID 55204470
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 3,4-dihydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide (CID 103956150) is 3,4-dihydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3,4-dihydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3,4-dihydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide is O=C(NCc1cccc(CO)c1)c1ccc(O)c(O)c1.
What is the InChIKey of 3,4-dihydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The InChIKey is YHIOKBYZDUDTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c17-9-11-3-1-2-10(6-11)8-16-15(20)12-4-5-13(18)14(19)7-12/h1-7,17-19H,8-9H2,(H,16,20).
What are the key properties of 3,4-dihydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
3,4-dihydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide has a molecular weight of 273.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 103956150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).