4-(2,6-dihydroxybenzoyl)-3-formyl-5-hydroxy-N-(4-methylphenyl)benzamide

C22H17NO6 — CID 14856111

IUPAC4-(2,6-dihydroxybenzoyl)-3-formyl-5-hydroxy-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(O)c(C(=O)c3c(O)cccc3O)c(C=O)c2)cc1
InChIInChI=1S/C22H17NO6/c1-12-5-7-15(8-6-12)23-22(29)13-9-14(11-24)19(18(27)10-13)21(28)20-16(25)3-2-4-17(20)26/h2-11,25-27H,1H3,(H,23,29)
InChIKeyUAIAXYKYLACCGU-UHFFFAOYSA-N
MW391.38 g/mol
LogP3.41
Rot. Bonds5

About 4-(2,6-dihydroxybenzoyl)-3-formyl-5-hydroxy-N-(4-methylphenyl)benzamide

4-(2,6-dihydroxybenzoyl)-3-formyl-5-hydroxy-N-(4-methylphenyl)benzamide (PubChem CID 14856111) has the molecular formula C22H17NO6 and a molecular weight of 391.38 g/mol. Its IUPAC name is 4-(2,6-dihydroxybenzoyl)-3-formyl-5-hydroxy-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(2,6-dihydroxybenzoyl)-3-formyl-5-hydroxy-N-(4-methylphenyl)benzamide
PubChem CID14856111
Molecular FormulaC22H17NO6
Molecular Weight391.38 g/mol
Exact Mass391.11
IUPAC Name4-(2,6-dihydroxybenzoyl)-3-formyl-5-hydroxy-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(O)c(C(=O)c3c(O)cccc3O)c(C=O)c2)cc1
InChIInChI=1S/C22H17NO6/c1-12-5-7-15(8-6-12)23-22(29)13-9-14(11-24)19(18(27)10-13)21(28)20-16(25)3-2-4-17(20)26/h2-11,25-27H,1H3,(H,23,29)
InChIKeyUAIAXYKYLACCGU-UHFFFAOYSA-N
XLogP3.41
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-(4-methylphenyl)benzamide
CID 10900357
3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 158719298
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876
N-(3-formylphenyl)-4-methylbenzamide
CID 2339361
N-(4-formamidophenyl)-3-methylbenzamide
CID 168653169
3-isocyanato-N-(4-methylphenyl)benzamide
CID 169353489
3,5-difluoro-N-(4-methylphenyl)benzamide
CID 2111363
3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056998
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
3,5-difluoro-4-(methylamino)-N-(4-methylphenyl)benzamide
CID 63187190

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dihydroxybenzoyl)-3-formyl-5-hydroxy-N-(4-methylphenyl)benzamide?
The IUPAC name of 4-(2,6-dihydroxybenzoyl)-3-formyl-5-hydroxy-N-(4-methylphenyl)benzamide (CID 14856111) is 4-(2,6-dihydroxybenzoyl)-3-formyl-5-hydroxy-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 4-(2,6-dihydroxybenzoyl)-3-formyl-5-hydroxy-N-(4-methylphenyl)benzamide?
The canonical SMILES for 4-(2,6-dihydroxybenzoyl)-3-formyl-5-hydroxy-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2cc(O)c(C(=O)c3c(O)cccc3O)c(C=O)c2)cc1.
What is the InChIKey of 4-(2,6-dihydroxybenzoyl)-3-formyl-5-hydroxy-N-(4-methylphenyl)benzamide?
The InChIKey is UAIAXYKYLACCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO6/c1-12-5-7-15(8-6-12)23-22(29)13-9-14(11-24)19(18(27)10-13)21(28)20-16(25)3-2-4-17(20)26/h2-11,25-27H,1H3,(H,23,29).
What are the key properties of 4-(2,6-dihydroxybenzoyl)-3-formyl-5-hydroxy-N-(4-methylphenyl)benzamide?
4-(2,6-dihydroxybenzoyl)-3-formyl-5-hydroxy-N-(4-methylphenyl)benzamide has a molecular weight of 391.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dihydroxybenzoyl)-3-formyl-5-hydroxy-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 14856111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).