2-hydroxy-N-(4-hydroxycyclohexyl)-3,5-diiodobenzamide

C13H15I2NO3 — CID 43388711

IUPAC2-hydroxy-N-(4-hydroxycyclohexyl)-3,5-diiodobenzamide
SMILESO=C(NC1CCC(O)CC1)c1cc(I)cc(I)c1O
InChIInChI=1S/C13H15I2NO3/c14-7-5-10(12(18)11(15)6-7)13(19)16-8-1-3-9(17)4-2-8/h5-6,8-9,17-18H,1-4H2,(H,16,19)
InChIKeyCERXTDMOZVXAJL-UHFFFAOYSA-N
MW487.08 g/mol
LogP2.63
Rot. Bonds2

About 2-hydroxy-N-(4-hydroxycyclohexyl)-3,5-diiodobenzamide

2-hydroxy-N-(4-hydroxycyclohexyl)-3,5-diiodobenzamide (PubChem CID 43388711) has the molecular formula C13H15I2NO3 and a molecular weight of 487.08 g/mol. Its IUPAC name is 2-hydroxy-N-(4-hydroxycyclohexyl)-3,5-diiodobenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(4-hydroxycyclohexyl)-3,5-diiodobenzamide
PubChem CID43388711
Molecular FormulaC13H15I2NO3
Molecular Weight487.08 g/mol
Exact Mass486.91
IUPAC Name2-hydroxy-N-(4-hydroxycyclohexyl)-3,5-diiodobenzamide
SMILESO=C(NC1CCC(O)CC1)c1cc(I)cc(I)c1O
InChIInChI=1S/C13H15I2NO3/c14-7-5-10(12(18)11(15)6-7)13(19)16-8-1-3-9(17)4-2-8/h5-6,8-9,17-18H,1-4H2,(H,16,19)
InChIKeyCERXTDMOZVXAJL-UHFFFAOYSA-N
XLogP2.63
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.08
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-2,3,5-triiodobenzamide
CID 60631264
N-cyclopropyl-2-hydroxy-3-iodobenzamide
CID 57086606
2-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,5-diiodobenzamide
CID 114630704
2,3-dihydroxy-N-(4-hydroxycyclohexyl)benzamide
CID 104966719
N-(4-hydroxycyclohexyl)-2-iodo-5-nitrobenzamide
CID 43317546
potassium 2-hydroxy-3,5-diiodobenzoate
CID 23716296
2-hydroxy-3,5-diiodo-N-methoxybenzamide
CID 60717158
5-amino-N-(4-hydroxycyclohexyl)-2,4-dimethylbenzamide
CID 102704817
2-amino-5-bromo-N-(4-hydroxycyclohexyl)benzamide
CID 75465077
4-bromo-2-fluoro-N-(4-hydroxycyclohexyl)benzamide
CID 24694578
2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide
CID 62508927
2-hydroxy-N-(1H-imidazol-2-yl)-3,5-diiodobenzamide
CID 60966948

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(4-hydroxycyclohexyl)-3,5-diiodobenzamide?
The IUPAC name of 2-hydroxy-N-(4-hydroxycyclohexyl)-3,5-diiodobenzamide (CID 43388711) is 2-hydroxy-N-(4-hydroxycyclohexyl)-3,5-diiodobenzamide.
What is the SMILES notation for 2-hydroxy-N-(4-hydroxycyclohexyl)-3,5-diiodobenzamide?
The canonical SMILES for 2-hydroxy-N-(4-hydroxycyclohexyl)-3,5-diiodobenzamide is O=C(NC1CCC(O)CC1)c1cc(I)cc(I)c1O.
What is the InChIKey of 2-hydroxy-N-(4-hydroxycyclohexyl)-3,5-diiodobenzamide?
The InChIKey is CERXTDMOZVXAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15I2NO3/c14-7-5-10(12(18)11(15)6-7)13(19)16-8-1-3-9(17)4-2-8/h5-6,8-9,17-18H,1-4H2,(H,16,19).
What are the key properties of 2-hydroxy-N-(4-hydroxycyclohexyl)-3,5-diiodobenzamide?
2-hydroxy-N-(4-hydroxycyclohexyl)-3,5-diiodobenzamide has a molecular weight of 487.08 g/mol, XLogP of 2.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(4-hydroxycyclohexyl)-3,5-diiodobenzamide is sourced from PubChem (CID 43388711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).