3,4-dihydroxy-N-(2-hydroxy-1-phenylethyl)benzamide

C15H15NO4 — CID 103958252

IUPAC3,4-dihydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
SMILESO=C(NC(CO)c1ccccc1)c1ccc(O)c(O)c1
InChIInChI=1S/C15H15NO4/c17-9-12(10-4-2-1-3-5-10)16-15(20)11-6-7-13(18)14(19)8-11/h1-8,12,17-19H,9H2,(H,16,20)
InChIKeyCLCDMLUKXFJGSD-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.56
Rot. Bonds4

About 3,4-dihydroxy-N-(2-hydroxy-1-phenylethyl)benzamide

3,4-dihydroxy-N-(2-hydroxy-1-phenylethyl)benzamide (PubChem CID 103958252) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3,4-dihydroxy-N-(2-hydroxy-1-phenylethyl)benzamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
PubChem CID103958252
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name3,4-dihydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
SMILESO=C(NC(CO)c1ccccc1)c1ccc(O)c(O)c1
InChIInChI=1S/C15H15NO4/c17-9-12(10-4-2-1-3-5-10)16-15(20)11-6-7-13(18)14(19)8-11/h1-8,12,17-19H,9H2,(H,16,20)
InChIKeyCLCDMLUKXFJGSD-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
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-hydroxy-N-(2-hydroxy-1-phenylethyl)-4-iodobenzamide
CID 104630304
N-(2-bromo-1-phenylethyl)-3,4-dihydroxybenzamide
CID 107729033
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-iodobenzamide
CID 103526856
4-(hydroxymethyl)-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182295
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide
CID 63182176
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
4-chloro-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103944860

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-(2-hydroxy-1-phenylethyl)benzamide?
The IUPAC name of 3,4-dihydroxy-N-(2-hydroxy-1-phenylethyl)benzamide (CID 103958252) is 3,4-dihydroxy-N-(2-hydroxy-1-phenylethyl)benzamide.
What is the SMILES notation for 3,4-dihydroxy-N-(2-hydroxy-1-phenylethyl)benzamide?
The canonical SMILES for 3,4-dihydroxy-N-(2-hydroxy-1-phenylethyl)benzamide is O=C(NC(CO)c1ccccc1)c1ccc(O)c(O)c1.
What is the InChIKey of 3,4-dihydroxy-N-(2-hydroxy-1-phenylethyl)benzamide?
The InChIKey is CLCDMLUKXFJGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c17-9-12(10-4-2-1-3-5-10)16-15(20)11-6-7-13(18)14(19)8-11/h1-8,12,17-19H,9H2,(H,16,20).
What are the key properties of 3,4-dihydroxy-N-(2-hydroxy-1-phenylethyl)benzamide?
3,4-dihydroxy-N-(2-hydroxy-1-phenylethyl)benzamide has a molecular weight of 273.29 g/mol, XLogP of 1.56, 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-(2-hydroxy-1-phenylethyl)benzamide is sourced from PubChem (CID 103958252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).