N-[(3,4-dihydroxyphenyl)methyl]-2,3-dihydroxybenzamide

C14H13NO5 — CID 141325357

IUPACN-[(3,4-dihydroxyphenyl)methyl]-2,3-dihydroxybenzamide
SMILESO=C(NCc1ccc(O)c(O)c1)c1cccc(O)c1O
InChIInChI=1S/C14H13NO5/c16-10-5-4-8(6-12(10)18)7-15-14(20)9-2-1-3-11(17)13(9)19/h1-6,16-19H,7H2,(H,15,20)
InChIKeyZYGWNFWBNCFJBI-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.44
Rot. Bonds3

About N-[(3,4-dihydroxyphenyl)methyl]-2,3-dihydroxybenzamide

N-[(3,4-dihydroxyphenyl)methyl]-2,3-dihydroxybenzamide (PubChem CID 141325357) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is N-[(3,4-dihydroxyphenyl)methyl]-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(3,4-dihydroxyphenyl)methyl]-2,3-dihydroxybenzamide
PubChem CID141325357
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC NameN-[(3,4-dihydroxyphenyl)methyl]-2,3-dihydroxybenzamide
SMILESO=C(NCc1ccc(O)c(O)c1)c1cccc(O)c1O
InChIInChI=1S/C14H13NO5/c16-10-5-4-8(6-12(10)18)7-15-14(20)9-2-1-3-11(17)13(9)19/h1-6,16-19H,7H2,(H,15,20)
InChIKeyZYGWNFWBNCFJBI-UHFFFAOYSA-N
XLogP1.44
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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-[(3,4-dihydroxyphenyl)methyl]-2,4-dihydroxybenzamide
CID 11558152
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999
N-[(3-ethoxy-4-hydroxyphenyl)methyl]-2,3-dihydroxybenzamide
CID 146301946
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2,3-dihydroxybenzamide
CID 114344540
N-[(3,4-dihydroxyphenyl)methyl]-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide
CID 154787709
N-[(3,4-dihydroxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731918
N-[(3-chlorophenyl)methyl]-2-hydroxybenzamide
CID 18105910
2-hydroxy-N-[(4-hydroxyphenyl)methyl]benzamide
CID 47148502
2,3-dihydroxy-N-prop-2-enylbenzamide
CID 67915131
3,4-dihydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103956150
N-[(3,4-dihydroxyphenyl)methyl]-2,2-dimethylpropanamide
CID 67129617
N-[(3,4-dihydroxyphenyl)methyl]-2-hydroxyprop-2-enamide
CID 174910195

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dihydroxyphenyl)methyl]-2,3-dihydroxybenzamide?
The IUPAC name of N-[(3,4-dihydroxyphenyl)methyl]-2,3-dihydroxybenzamide (CID 141325357) is N-[(3,4-dihydroxyphenyl)methyl]-2,3-dihydroxybenzamide.
What is the SMILES notation for N-[(3,4-dihydroxyphenyl)methyl]-2,3-dihydroxybenzamide?
The canonical SMILES for N-[(3,4-dihydroxyphenyl)methyl]-2,3-dihydroxybenzamide is O=C(NCc1ccc(O)c(O)c1)c1cccc(O)c1O.
What is the InChIKey of N-[(3,4-dihydroxyphenyl)methyl]-2,3-dihydroxybenzamide?
The InChIKey is ZYGWNFWBNCFJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c16-10-5-4-8(6-12(10)18)7-15-14(20)9-2-1-3-11(17)13(9)19/h1-6,16-19H,7H2,(H,15,20).
What are the key properties of N-[(3,4-dihydroxyphenyl)methyl]-2,3-dihydroxybenzamide?
N-[(3,4-dihydroxyphenyl)methyl]-2,3-dihydroxybenzamide has a molecular weight of 275.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dihydroxyphenyl)methyl]-2,3-dihydroxybenzamide is sourced from PubChem (CID 141325357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).