N-(3,4-dimethoxyphenyl)-2,4-dihydroxybenzamide

C15H15NO5 — CID 103606001

IUPACN-(3,4-dimethoxyphenyl)-2,4-dihydroxybenzamide
SMILESCOc1ccc(NC(=O)c2ccc(O)cc2O)cc1OC
InChIInChI=1S/C15H15NO5/c1-20-13-6-3-9(7-14(13)21-2)16-15(19)11-5-4-10(17)8-12(11)18/h3-8,17-18H,1-2H3,(H,16,19)
InChIKeyHFZKWKNJIZNQGK-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.37
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-2,4-dihydroxybenzamide

N-(3,4-dimethoxyphenyl)-2,4-dihydroxybenzamide (PubChem CID 103606001) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2,4-dihydroxybenzamide
PubChem CID103606001
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC NameN-(3,4-dimethoxyphenyl)-2,4-dihydroxybenzamide
SMILESCOc1ccc(NC(=O)c2ccc(O)cc2O)cc1OC
InChIInChI=1S/C15H15NO5/c1-20-13-6-3-9(7-14(13)21-2)16-15(19)11-5-4-10(17)8-12(11)18/h3-8,17-18H,1-2H3,(H,16,19)
InChIKeyHFZKWKNJIZNQGK-UHFFFAOYSA-N
XLogP2.37
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
2-hydroxy-N-(4-methoxy-3-methylphenyl)-4-methylbenzamide
CID 47317808
2-hydroxy-N-[4-[(2-hydroxy-4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 23249025
4-fluoro-N-(3-fluoro-4-methoxyphenyl)-2-hydroxybenzamide
CID 103829787
N-(3,4-dimethoxyphenyl)-2-iodo-4-methylbenzamide
CID 100523566
N-(4-bromo-3-methoxyphenyl)-4-fluoro-2-hydroxybenzamide
CID 103830086
N-(3-bromo-5-methoxyphenyl)-2,4-dihydroxybenzamide
CID 103878372
N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide
CID 114840033
2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide
CID 990540
(3,4-dimethoxyphenyl)urea
CID 21197430
N-(4-amino-3-bromophenyl)-2,4-dihydroxybenzamide
CID 107721508
2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 27167303

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2,4-dihydroxybenzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2,4-dihydroxybenzamide (CID 103606001) is N-(3,4-dimethoxyphenyl)-2,4-dihydroxybenzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2,4-dihydroxybenzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2,4-dihydroxybenzamide is COc1ccc(NC(=O)c2ccc(O)cc2O)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2,4-dihydroxybenzamide?
The InChIKey is HFZKWKNJIZNQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-20-13-6-3-9(7-14(13)21-2)16-15(19)11-5-4-10(17)8-12(11)18/h3-8,17-18H,1-2H3,(H,16,19).
What are the key properties of N-(3,4-dimethoxyphenyl)-2,4-dihydroxybenzamide?
N-(3,4-dimethoxyphenyl)-2,4-dihydroxybenzamide has a molecular weight of 289.29 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2,4-dihydroxybenzamide is sourced from PubChem (CID 103606001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).