N-(3,4-dihydroxybenzoyl)-3,4-dihydroxybenzamide

C14H11NO6 — CID 52913696

IUPACN-(3,4-dihydroxybenzoyl)-3,4-dihydroxybenzamide
SMILESO=C(NC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1
InChIInChI=1S/C14H11NO6/c16-9-3-1-7(5-11(9)18)13(20)15-14(21)8-2-4-10(17)12(19)6-8/h1-6,16-19H,(H,15,20,21)
InChIKeyVXEDULSHSRZPSB-UHFFFAOYSA-N
MW289.24 g/mol
LogP1.08
Rot. Bonds2

About N-(3,4-dihydroxybenzoyl)-3,4-dihydroxybenzamide

N-(3,4-dihydroxybenzoyl)-3,4-dihydroxybenzamide (PubChem CID 52913696) has the molecular formula C14H11NO6 and a molecular weight of 289.24 g/mol. Its IUPAC name is N-(3,4-dihydroxybenzoyl)-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-(3,4-dihydroxybenzoyl)-3,4-dihydroxybenzamide
PubChem CID52913696
Molecular FormulaC14H11NO6
Molecular Weight289.24 g/mol
Exact Mass289.06
IUPAC NameN-(3,4-dihydroxybenzoyl)-3,4-dihydroxybenzamide
SMILESO=C(NC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1
InChIInChI=1S/C14H11NO6/c16-9-3-1-7(5-11(9)18)13(20)15-14(21)8-2-4-10(17)12(19)6-8/h1-6,16-19H,(H,15,20,21)
InChIKeyVXEDULSHSRZPSB-UHFFFAOYSA-N
XLogP1.08
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 51.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydroxy-N-methoxybenzamide
CID 103956380
benzene;3,4-dihydroxybenzoic acid
CID 175073097
bis(3,4-dihydroxybenzoic acid);zirconium
CID 23558402
N-[(1R,2R)-2-[(3,4-dihydroxybenzoyl)amino]cyclohexyl]-3,4-dihydroxybenzamide
CID 10091534
N-[(E)-ethylideneamino]-3,4-dihydroxybenzamide
CID 90127167
N-cyclopentyl-3,4-dihydroxybenzamide
CID 113199189
N-but-2-ynyl-3,4-dihydroxybenzamide
CID 103957730
3,4-dihydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 103957233
3,4-dihydroxy-N-(2-hydroxypropyl)benzamide
CID 103955565
3,4-dihydroxy-N-(2-iodophenyl)benzamide
CID 103956209
(3,4-dihydroxyphenyl)-phosphanylmethanone;trihydrochloride
CID 70442762
3,4-dihydroxy-N-(2-methylphenyl)benzamide
CID 57150208

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydroxybenzoyl)-3,4-dihydroxybenzamide?
The IUPAC name of N-(3,4-dihydroxybenzoyl)-3,4-dihydroxybenzamide (CID 52913696) is N-(3,4-dihydroxybenzoyl)-3,4-dihydroxybenzamide.
What is the SMILES notation for N-(3,4-dihydroxybenzoyl)-3,4-dihydroxybenzamide?
The canonical SMILES for N-(3,4-dihydroxybenzoyl)-3,4-dihydroxybenzamide is O=C(NC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1.
What is the InChIKey of N-(3,4-dihydroxybenzoyl)-3,4-dihydroxybenzamide?
The InChIKey is VXEDULSHSRZPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO6/c16-9-3-1-7(5-11(9)18)13(20)15-14(21)8-2-4-10(17)12(19)6-8/h1-6,16-19H,(H,15,20,21).
What are the key properties of N-(3,4-dihydroxybenzoyl)-3,4-dihydroxybenzamide?
N-(3,4-dihydroxybenzoyl)-3,4-dihydroxybenzamide has a molecular weight of 289.24 g/mol, XLogP of 1.08, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydroxybenzoyl)-3,4-dihydroxybenzamide is sourced from PubChem (CID 52913696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).