5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide

C13H15ClINO2 — CID 104927151

IUPAC5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cc(Cl)ccc1I
InChIInChI=1S/C13H15ClINO2/c14-8-5-6-10(15)9(7-8)13(18)16-11-3-1-2-4-12(11)17/h5-7,11-12,17H,1-4H2,(H,16,18)/t11-,12-/m1/s1
InChIKeyIXAKOZDEEPFBIL-VXGBXAGGSA-N
MW379.63 g/mol
LogP2.98
Rot. Bonds2

About 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide

5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide (PubChem CID 104927151) has the molecular formula C13H15ClINO2 and a molecular weight of 379.63 g/mol. Its IUPAC name is 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide.

Molecular Properties

Compound Name5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide
PubChem CID104927151
Molecular FormulaC13H15ClINO2
Molecular Weight379.63 g/mol
Exact Mass378.98
IUPAC Name5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cc(Cl)ccc1I
InChIInChI=1S/C13H15ClINO2/c14-8-5-6-10(15)9(7-8)13(18)16-11-3-1-2-4-12(11)17/h5-7,11-12,17H,1-4H2,(H,16,18)/t11-,12-/m1/s1
InChIKeyIXAKOZDEEPFBIL-VXGBXAGGSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.63
LogP ≤ 52.98
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-(aminomethyl)cyclohexyl]-5-chloro-2-iodobenzamide
CID 103807257
4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 94413889
5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 106813444
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide
CID 94413829
N-(2-hydroxycyclohexyl)-2-iodobenzamide
CID 62365410
N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 6709814
3-chloro-N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 103855445
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-nitrobenzamide
CID 104927193
5-chloro-N-(2-hydroxycyclohexyl)-2-(propylamino)benzamide
CID 62359667
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
5-chloro-2-iodo-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387157
4-chloro-N-(2-hydroxycyclopentyl)benzamide
CID 14967652

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide?
The IUPAC name of 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide (CID 104927151) is 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide.
What is the SMILES notation for 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide?
The canonical SMILES for 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide is O=C(N[C@@H]1CCCC[C@H]1O)c1cc(Cl)ccc1I.
What is the InChIKey of 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide?
The InChIKey is IXAKOZDEEPFBIL-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H15ClINO2/c14-8-5-6-10(15)9(7-8)13(18)16-11-3-1-2-4-12(11)17/h5-7,11-12,17H,1-4H2,(H,16,18)/t11-,12-/m1/s1.
What are the key properties of 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide?
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide has a molecular weight of 379.63 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide is sourced from PubChem (CID 104927151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).