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

C14H13NO5 — CID 11558152

IUPACN-[(3,4-dihydroxyphenyl)methyl]-2,4-dihydroxybenzamide
SMILESO=C(NCc1ccc(O)c(O)c1)c1ccc(O)cc1O
InChIInChI=1S/C14H13NO5/c16-9-2-3-10(12(18)6-9)14(20)15-7-8-1-4-11(17)13(19)5-8/h1-6,16-19H,7H2,(H,15,20)
InChIKeyUQXMRXHSCJSLFT-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.44
Rot. Bonds3

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

N-[(3,4-dihydroxyphenyl)methyl]-2,4-dihydroxybenzamide (PubChem CID 11558152) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is N-[(3,4-dihydroxyphenyl)methyl]-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(3,4-dihydroxyphenyl)methyl]-2,4-dihydroxybenzamide
PubChem CID11558152
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC NameN-[(3,4-dihydroxyphenyl)methyl]-2,4-dihydroxybenzamide
SMILESO=C(NCc1ccc(O)c(O)c1)c1ccc(O)cc1O
InChIInChI=1S/C14H13NO5/c16-9-2-3-10(12(18)6-9)14(20)15-7-8-1-4-11(17)13(19)5-8/h1-6,16-19H,7H2,(H,15,20)
InChIKeyUQXMRXHSCJSLFT-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]-2,3-dihydroxybenzamide
CID 141325357
2,4-dihydroxy-N-prop-2-enylbenzamide
CID 103608413
2-hydroxy-N-[(4-hydroxyphenyl)methyl]benzamide
CID 47148502
4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide
CID 103867255
N-[(3,4-dihydroxyphenyl)methyl]-2-hydroxyprop-2-enamide
CID 174910195
N-[2-(4-fluorophenyl)ethyl]-2,4-dihydroxybenzamide
CID 103600070
2-hydroxy-N-[(3-hydroxyphenyl)methyl]-4-methoxybenzamide
CID 47292166
2,4-dihydroxy-N-(2-phenylethyl)benzamide
CID 103600168
2,4-dihydroxy-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 103721251
N-[[3-(chloromethyl)phenyl]methyl]-2,5-dihydroxybenzamide
CID 107725957
N-(cyclopropylmethyl)-2,4-dihydroxybenzamide
CID 103739641
2,4-dihydroxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65110545

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dihydroxyphenyl)methyl]-2,4-dihydroxybenzamide?
The IUPAC name of N-[(3,4-dihydroxyphenyl)methyl]-2,4-dihydroxybenzamide (CID 11558152) is N-[(3,4-dihydroxyphenyl)methyl]-2,4-dihydroxybenzamide.
What is the SMILES notation for N-[(3,4-dihydroxyphenyl)methyl]-2,4-dihydroxybenzamide?
The canonical SMILES for N-[(3,4-dihydroxyphenyl)methyl]-2,4-dihydroxybenzamide is O=C(NCc1ccc(O)c(O)c1)c1ccc(O)cc1O.
What is the InChIKey of N-[(3,4-dihydroxyphenyl)methyl]-2,4-dihydroxybenzamide?
The InChIKey is UQXMRXHSCJSLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c16-9-2-3-10(12(18)6-9)14(20)15-7-8-1-4-11(17)13(19)5-8/h1-6,16-19H,7H2,(H,15,20).
What are the key properties of N-[(3,4-dihydroxyphenyl)methyl]-2,4-dihydroxybenzamide?
N-[(3,4-dihydroxyphenyl)methyl]-2,4-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]-2,4-dihydroxybenzamide is sourced from PubChem (CID 11558152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).