2,4-dihydroxy-N-(4-oxocyclohexyl)benzamide

C13H15NO4 — CID 107722193

IUPAC2,4-dihydroxy-N-(4-oxocyclohexyl)benzamide
SMILESO=C1CCC(NC(=O)c2ccc(O)cc2O)CC1
InChIInChI=1S/C13H15NO4/c15-9-3-1-8(2-4-9)14-13(18)11-6-5-10(16)7-12(11)17/h5-8,16-17H,1-4H2,(H,14,18)
InChIKeyACOQSMJTLQWVBL-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.34
Rot. Bonds2

About 2,4-dihydroxy-N-(4-oxocyclohexyl)benzamide

2,4-dihydroxy-N-(4-oxocyclohexyl)benzamide (PubChem CID 107722193) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2,4-dihydroxy-N-(4-oxocyclohexyl)benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-(4-oxocyclohexyl)benzamide
PubChem CID107722193
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name2,4-dihydroxy-N-(4-oxocyclohexyl)benzamide
SMILESO=C1CCC(NC(=O)c2ccc(O)cc2O)CC1
InChIInChI=1S/C13H15NO4/c15-9-3-1-8(2-4-9)14-13(18)11-6-5-10(16)7-12(11)17/h5-8,16-17H,1-4H2,(H,14,18)
InChIKeyACOQSMJTLQWVBL-UHFFFAOYSA-N
XLogP1.34
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorocyclohexyl)-2,4-dihydroxybenzamide
CID 107725924
2-hydroxy-N-(4-oxocyclohexyl)benzamide
CID 43652857
2,4-dihydroxy-N-(oxan-3-yl)benzamide
CID 113232786
2,4-dihydroxy-N-(3-methylcyclohexyl)benzamide
CID 103612467
2,4-dihydroxy-N-(2-hydroxycyclohexyl)benzamide
CID 62366802
N-cyclobutyl-2-hydroxy-4-methylbenzamide
CID 62416758
N-cyclobutyl-4-hydroxy-2-methylbenzamide
CID 103865467
N-(2-aminocyclopentyl)-2,4-dihydroxybenzamide
CID 63251225
2-hydroxy-4-methoxy-N-(oxan-4-yl)benzamide
CID 43610298
2,4-dihydroxy-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 103727932
2,4-dihydroxy-N-(2-methylcycloheptyl)benzamide
CID 103714355
N-(cyclopropylmethyl)-2,4-dihydroxybenzamide
CID 103739641

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-(4-oxocyclohexyl)benzamide?
The IUPAC name of 2,4-dihydroxy-N-(4-oxocyclohexyl)benzamide (CID 107722193) is 2,4-dihydroxy-N-(4-oxocyclohexyl)benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-(4-oxocyclohexyl)benzamide?
The canonical SMILES for 2,4-dihydroxy-N-(4-oxocyclohexyl)benzamide is O=C1CCC(NC(=O)c2ccc(O)cc2O)CC1.
What is the InChIKey of 2,4-dihydroxy-N-(4-oxocyclohexyl)benzamide?
The InChIKey is ACOQSMJTLQWVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-9-3-1-8(2-4-9)14-13(18)11-6-5-10(16)7-12(11)17/h5-8,16-17H,1-4H2,(H,14,18).
What are the key properties of 2,4-dihydroxy-N-(4-oxocyclohexyl)benzamide?
2,4-dihydroxy-N-(4-oxocyclohexyl)benzamide has a molecular weight of 249.27 g/mol, XLogP of 1.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-(4-oxocyclohexyl)benzamide is sourced from PubChem (CID 107722193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).