3,4-dihydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide

C15H15NO4 — CID 103956147

IUPAC3,4-dihydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CCO)cc1)c1ccc(O)c(O)c1
InChIInChI=1S/C15H15NO4/c17-8-7-10-1-4-12(5-2-10)16-15(20)11-3-6-13(18)14(19)9-11/h1-6,9,17-19H,7-8H2,(H,16,20)
InChIKeyBLPIUENPQWIXLP-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.88
Rot. Bonds4

About 3,4-dihydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide

3,4-dihydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide (PubChem CID 103956147) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3,4-dihydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide
PubChem CID103956147
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name3,4-dihydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CCO)cc1)c1ccc(O)c(O)c1
InChIInChI=1S/C15H15NO4/c17-8-7-10-1-4-12(5-2-10)16-15(20)11-3-6-13(18)14(19)9-11/h1-6,9,17-19H,7-8H2,(H,16,20)
InChIKeyBLPIUENPQWIXLP-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
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

N-[4-(cyanomethyl)phenyl]-3,4-dihydroxybenzamide
CID 103955439
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 61221414
3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 64792997
N-[4-(2-hydroxyethyl)phenyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 61237345
N-[4-(2-hydroxyethyl)phenyl]pyrimidine-5-carboxamide
CID 104627400
4-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-2-methylbenzamide
CID 103865733
N-(4-butylphenyl)-4-hydroxy-3-methylbenzamide
CID 107676610
N-[4-(2-hydroxyethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 51985113
4-ethyl-N-[4-(2-hydroxyethyl)phenyl]-3-nitrobenzamide
CID 111612092
3-(difluoromethoxy)-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 110902273
3-bromo-5-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 61221441
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide?
The IUPAC name of 3,4-dihydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide (CID 103956147) is 3,4-dihydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide.
What is the SMILES notation for 3,4-dihydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide?
The canonical SMILES for 3,4-dihydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide is O=C(Nc1ccc(CCO)cc1)c1ccc(O)c(O)c1.
What is the InChIKey of 3,4-dihydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide?
The InChIKey is BLPIUENPQWIXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c17-8-7-10-1-4-12(5-2-10)16-15(20)11-3-6-13(18)14(19)9-11/h1-6,9,17-19H,7-8H2,(H,16,20).
What are the key properties of 3,4-dihydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide?
3,4-dihydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide has a molecular weight of 273.29 g/mol, XLogP of 1.88, 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-[4-(2-hydroxyethyl)phenyl]benzamide is sourced from PubChem (CID 103956147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).