2,3-dihydroxy-N-(4-hydroxycyclohexyl)benzamide

C13H17NO4 — CID 104966719

IUPAC2,3-dihydroxy-N-(4-hydroxycyclohexyl)benzamide
SMILESO=C(NC1CCC(O)CC1)c1cccc(O)c1O
InChIInChI=1S/C13H17NO4/c15-9-6-4-8(5-7-9)14-13(18)10-2-1-3-11(16)12(10)17/h1-3,8-9,15-17H,4-7H2,(H,14,18)
InChIKeyNXIFZDBIOKELDO-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.13
Rot. Bonds2

About 2,3-dihydroxy-N-(4-hydroxycyclohexyl)benzamide

2,3-dihydroxy-N-(4-hydroxycyclohexyl)benzamide (PubChem CID 104966719) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2,3-dihydroxy-N-(4-hydroxycyclohexyl)benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-(4-hydroxycyclohexyl)benzamide
PubChem CID104966719
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2,3-dihydroxy-N-(4-hydroxycyclohexyl)benzamide
SMILESO=C(NC1CCC(O)CC1)c1cccc(O)c1O
InChIInChI=1S/C13H17NO4/c15-9-6-4-8(5-7-9)14-13(18)10-2-1-3-11(16)12(10)17/h1-3,8-9,15-17H,4-7H2,(H,14,18)
InChIKeyNXIFZDBIOKELDO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-hydroxy-3-iodobenzamide
CID 57086606
2,3-dihydroxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 114343472
methyl 4-[(2,3-dihydroxybenzoyl)amino]cyclohexane-1-carboxylate
CID 114345140
2,3-dihydroxy-N-(4-propylcyclohexyl)benzamide
CID 114344117
2,3-dihydroxy-N-(thiolan-3-yl)benzamide
CID 103063299
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,3-dihydroxybenzamide
CID 104894014
N-(4-hydroxycyclohexyl)-2-phenylbenzamide
CID 39903813
2,3-dihydroxy-N-piperidin-3-ylbenzamide
CID 114343480
3-fluoro-2-hydrazinyl-N-(4-hydroxycyclohexyl)benzamide
CID 62660970
2-fluoro-N-(4-hydroxycyclohexyl)-3-(trifluoromethyl)benzamide
CID 79884389
N-cyclobutyl-2-hydroxy-3-methylbenzamide
CID 62416564
2-[(2,3-dihydroxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 114343415

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-(4-hydroxycyclohexyl)benzamide?
The IUPAC name of 2,3-dihydroxy-N-(4-hydroxycyclohexyl)benzamide (CID 104966719) is 2,3-dihydroxy-N-(4-hydroxycyclohexyl)benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-(4-hydroxycyclohexyl)benzamide?
The canonical SMILES for 2,3-dihydroxy-N-(4-hydroxycyclohexyl)benzamide is O=C(NC1CCC(O)CC1)c1cccc(O)c1O.
What is the InChIKey of 2,3-dihydroxy-N-(4-hydroxycyclohexyl)benzamide?
The InChIKey is NXIFZDBIOKELDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c15-9-6-4-8(5-7-9)14-13(18)10-2-1-3-11(16)12(10)17/h1-3,8-9,15-17H,4-7H2,(H,14,18).
What are the key properties of 2,3-dihydroxy-N-(4-hydroxycyclohexyl)benzamide?
2,3-dihydroxy-N-(4-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 2,3-dihydroxy-N-(4-hydroxycyclohexyl)benzamide is sourced from PubChem (CID 104966719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).