N-(2,4-dihydroxyphenyl)-4-hydroxybenzamide

C13H11NO4 — CID 171363826

IUPACN-(2,4-dihydroxyphenyl)-4-hydroxybenzamide
SMILESO=C(Nc1ccc(O)cc1O)c1ccc(O)cc1
InChIInChI=1S/C13H11NO4/c15-9-3-1-8(2-4-9)13(18)14-11-6-5-10(16)7-12(11)17/h1-7,15-17H,(H,14,18)
InChIKeyDAVDCGKWJNFVLQ-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.06
Rot. Bonds2

About N-(2,4-dihydroxyphenyl)-4-hydroxybenzamide

N-(2,4-dihydroxyphenyl)-4-hydroxybenzamide (PubChem CID 171363826) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is N-(2,4-dihydroxyphenyl)-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(2,4-dihydroxyphenyl)-4-hydroxybenzamide
PubChem CID171363826
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC NameN-(2,4-dihydroxyphenyl)-4-hydroxybenzamide
SMILESO=C(Nc1ccc(O)cc1O)c1ccc(O)cc1
InChIInChI=1S/C13H11NO4/c15-9-3-1-8(2-4-9)13(18)14-11-6-5-10(16)7-12(11)17/h1-7,15-17H,(H,14,18)
InChIKeyDAVDCGKWJNFVLQ-UHFFFAOYSA-N
XLogP2.06
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 60654456
N-(2,4-dihydroxyphenyl)-4-methoxybenzamide
CID 141075428
N-(2,4-dihydroxyphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide
CID 166326596
4-amino-N-[4-[4-[(4-aminobenzoyl)amino]-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide
CID 18986447
N-[2-hydroxy-4-(6-hydroxynaphthalen-2-yl)phenyl]benzamide
CID 24949874
4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
CID 28534866
4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid
CID 108744180
4-bromo-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64786775
N-(4-amino-2-hydroxyphenyl)-4-chlorobenzamide
CID 3264738
3-chloro-N-(2-chloro-4-hydroxyphenyl)-4-hydroxybenzamide
CID 64787162
4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide
CID 64787655
N-(2-fluoro-4-hydroxyphenyl)-4-(trifluoromethyl)benzamide
CID 64793492

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dihydroxyphenyl)-4-hydroxybenzamide?
The IUPAC name of N-(2,4-dihydroxyphenyl)-4-hydroxybenzamide (CID 171363826) is N-(2,4-dihydroxyphenyl)-4-hydroxybenzamide.
What is the SMILES notation for N-(2,4-dihydroxyphenyl)-4-hydroxybenzamide?
The canonical SMILES for N-(2,4-dihydroxyphenyl)-4-hydroxybenzamide is O=C(Nc1ccc(O)cc1O)c1ccc(O)cc1.
What is the InChIKey of N-(2,4-dihydroxyphenyl)-4-hydroxybenzamide?
The InChIKey is DAVDCGKWJNFVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c15-9-3-1-8(2-4-9)13(18)14-11-6-5-10(16)7-12(11)17/h1-7,15-17H,(H,14,18).
What are the key properties of N-(2,4-dihydroxyphenyl)-4-hydroxybenzamide?
N-(2,4-dihydroxyphenyl)-4-hydroxybenzamide has a molecular weight of 245.23 g/mol, XLogP of 2.06, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dihydroxyphenyl)-4-hydroxybenzamide is sourced from PubChem (CID 171363826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).