2,4-dihydroxy-N-(4-methylpyrrolidin-3-yl)benzamide

C12H16N2O3 — CID 107721876

IUPAC2,4-dihydroxy-N-(4-methylpyrrolidin-3-yl)benzamide
SMILESCC1CNCC1NC(=O)c1ccc(O)cc1O
InChIInChI=1S/C12H16N2O3/c1-7-5-13-6-10(7)14-12(17)9-3-2-8(15)4-11(9)16/h2-4,7,10,13,15-16H,5-6H2,1H3,(H,14,17)
InChIKeyRIVZWHUOBBVYSB-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.44
Rot. Bonds2

About 2,4-dihydroxy-N-(4-methylpyrrolidin-3-yl)benzamide

2,4-dihydroxy-N-(4-methylpyrrolidin-3-yl)benzamide (PubChem CID 107721876) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2,4-dihydroxy-N-(4-methylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-(4-methylpyrrolidin-3-yl)benzamide
PubChem CID107721876
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2,4-dihydroxy-N-(4-methylpyrrolidin-3-yl)benzamide
SMILESCC1CNCC1NC(=O)c1ccc(O)cc1O
InChIInChI=1S/C12H16N2O3/c1-7-5-13-6-10(7)14-12(17)9-3-2-8(15)4-11(9)16/h2-4,7,10,13,15-16H,5-6H2,1H3,(H,14,17)
InChIKeyRIVZWHUOBBVYSB-UHFFFAOYSA-N
XLogP0.44
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide
CID 113457521
2-chloro-5-hydroxy-N-(4-methylpyrrolidin-3-yl)benzamide
CID 106500907
2,4-dihydroxy-N-(2-methylcycloheptyl)benzamide
CID 103714355
2,4-dihydroxy-N-(2-hydroxycyclohexyl)benzamide
CID 62366802
N-(2-aminocyclopentyl)-2,4-dihydroxybenzamide
CID 63251225
2,4-dihydroxy-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 103727932
2,4-dihydroxy-N-(3-methylcyclohexyl)benzamide
CID 103612467
N-(4-chlorocyclohexyl)-2,4-dihydroxybenzamide
CID 107725924
N-[2-(bromomethyl)cyclopentyl]-2,4-dihydroxybenzamide
CID 106366292
N-(2,3-dimethylcyclohexyl)-4-hydroxy-2-methylbenzamide
CID 103863506
2,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 103760946
2,4-dihydroxy-N-(4-oxocyclohexyl)benzamide
CID 107722193

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-(4-methylpyrrolidin-3-yl)benzamide?
The IUPAC name of 2,4-dihydroxy-N-(4-methylpyrrolidin-3-yl)benzamide (CID 107721876) is 2,4-dihydroxy-N-(4-methylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-(4-methylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 2,4-dihydroxy-N-(4-methylpyrrolidin-3-yl)benzamide is CC1CNCC1NC(=O)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-(4-methylpyrrolidin-3-yl)benzamide?
The InChIKey is RIVZWHUOBBVYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7-5-13-6-10(7)14-12(17)9-3-2-8(15)4-11(9)16/h2-4,7,10,13,15-16H,5-6H2,1H3,(H,14,17).
What are the key properties of 2,4-dihydroxy-N-(4-methylpyrrolidin-3-yl)benzamide?
2,4-dihydroxy-N-(4-methylpyrrolidin-3-yl)benzamide has a molecular weight of 236.27 g/mol, XLogP of 0.44, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-(4-methylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 107721876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).