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

C13H17NO4 — CID 62366802

IUPAC2,4-dihydroxy-N-(2-hydroxycyclohexyl)benzamide
SMILESO=C(NC1CCCCC1O)c1ccc(O)cc1O
InChIInChI=1S/C13H17NO4/c15-8-5-6-9(12(17)7-8)13(18)14-10-3-1-2-4-11(10)16/h5-7,10-11,15-17H,1-4H2,(H,14,18)
InChIKeyQDHDNCAUELAAEZ-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.13
Rot. Bonds2

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

2,4-dihydroxy-N-(2-hydroxycyclohexyl)benzamide (PubChem CID 62366802) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2,4-dihydroxy-N-(2-hydroxycyclohexyl)benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-(2-hydroxycyclohexyl)benzamide
PubChem CID62366802
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2,4-dihydroxy-N-(2-hydroxycyclohexyl)benzamide
SMILESO=C(NC1CCCCC1O)c1ccc(O)cc1O
InChIInChI=1S/C13H17NO4/c15-8-5-6-9(12(17)7-8)13(18)14-10-3-1-2-4-11(10)16/h5-7,10-11,15-17H,1-4H2,(H,14,18)
InChIKeyQDHDNCAUELAAEZ-UHFFFAOYSA-N
XLogP1.13
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 94413889
2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methoxybenzamide
CID 104956910
2,4-dihydroxy-N-(2-methylcycloheptyl)benzamide
CID 103714355
N-(2-aminocyclopentyl)-2,4-dihydroxybenzamide
CID 63251225
N-[2-(bromomethyl)cyclopentyl]-2,4-dihydroxybenzamide
CID 106366292
5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927973
3-hydroxy-N-(2-hydroxycycloheptyl)benzamide
CID 113394806
N-(4-chlorocyclohexyl)-2,4-dihydroxybenzamide
CID 107725924
2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide
CID 107939682
3-amino-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 45086848
2,4-dihydroxy-N-(4-methylpyrrolidin-3-yl)benzamide
CID 107721876
2,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 103760946

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-(2-hydroxycyclohexyl)benzamide?
The IUPAC name of 2,4-dihydroxy-N-(2-hydroxycyclohexyl)benzamide (CID 62366802) is 2,4-dihydroxy-N-(2-hydroxycyclohexyl)benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-(2-hydroxycyclohexyl)benzamide?
The canonical SMILES for 2,4-dihydroxy-N-(2-hydroxycyclohexyl)benzamide is O=C(NC1CCCCC1O)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-(2-hydroxycyclohexyl)benzamide?
The InChIKey is QDHDNCAUELAAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c15-8-5-6-9(12(17)7-8)13(18)14-10-3-1-2-4-11(10)16/h5-7,10-11,15-17H,1-4H2,(H,14,18).
What are the key properties of 2,4-dihydroxy-N-(2-hydroxycyclohexyl)benzamide?
2,4-dihydroxy-N-(2-hydroxycyclohexyl)benzamide has a molecular weight of 251.28 g/mol, XLogP of 1.13, 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-(2-hydroxycyclohexyl)benzamide is sourced from PubChem (CID 62366802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).