N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide

C13H16INO2 — CID 6709814

IUPACN-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide
SMILESO=C(NC1CCCC[C@H]1O)c1ccccc1I
InChIInChI=1S/C13H16INO2/c14-10-6-2-1-5-9(10)13(17)15-11-7-3-4-8-12(11)16/h1-2,5-6,11-12,16H,3-4,7-8H2,(H,15,17)/t11?,12-/m1/s1
InChIKeyJJFNATFZKTZFDF-PIJUOVFKSA-N
MW345.18 g/mol
LogP2.32
Rot. Bonds2

About N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide

N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide (PubChem CID 6709814) has the molecular formula C13H16INO2 and a molecular weight of 345.18 g/mol. Its IUPAC name is N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide
PubChem CID6709814
Molecular FormulaC13H16INO2
Molecular Weight345.18 g/mol
Exact Mass345.02
IUPAC NameN-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide
SMILESO=C(NC1CCCC[C@H]1O)c1ccccc1I
InChIInChI=1S/C13H16INO2/c14-10-6-2-1-5-9(10)13(17)15-11-7-3-4-8-12(11)16/h1-2,5-6,11-12,16H,3-4,7-8H2,(H,15,17)/t11?,12-/m1/s1
InChIKeyJJFNATFZKTZFDF-PIJUOVFKSA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxycyclohexyl)-2-iodobenzamide
CID 62365410
2-[(2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813949
2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415091
2-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415090
2-iodo-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 60722477
N-(2-hydroxycyclohexyl)-2-iodo-3-methylbenzamide
CID 113339330
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 104927151
N-(2-hydroxycyclohexyl)-2-oxo-1H-pyridine-3-carboxamide
CID 62365088
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(propan-2-ylamino)benzamide
CID 107223849
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-iodobenzamide
CID 76978483
2-[acetyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927739
N-(2-hydroxycyclohexyl)-1H-indole-3-carboxamide
CID 55064120

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide?
The IUPAC name of N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide (CID 6709814) is N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide.
What is the SMILES notation for N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide?
The canonical SMILES for N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide is O=C(NC1CCCC[C@H]1O)c1ccccc1I.
What is the InChIKey of N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide?
The InChIKey is JJFNATFZKTZFDF-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H16INO2/c14-10-6-2-1-5-9(10)13(17)15-11-7-3-4-8-12(11)16/h1-2,5-6,11-12,16H,3-4,7-8H2,(H,15,17)/t11?,12-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide?
N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide has a molecular weight of 345.18 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide is sourced from PubChem (CID 6709814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).