3-chloro-N-(2-hydroxycyclohexyl)-4-iodobenzamide

C13H15ClINO2 — CID 103855445

IUPAC3-chloro-N-(2-hydroxycyclohexyl)-4-iodobenzamide
SMILESO=C(NC1CCCCC1O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H15ClINO2/c14-9-7-8(5-6-10(9)15)13(18)16-11-3-1-2-4-12(11)17/h5-7,11-12,17H,1-4H2,(H,16,18)
InChIKeyGIQGFIKHCZDBFJ-UHFFFAOYSA-N
MW379.63 g/mol
LogP2.98
Rot. Bonds2

About 3-chloro-N-(2-hydroxycyclohexyl)-4-iodobenzamide

3-chloro-N-(2-hydroxycyclohexyl)-4-iodobenzamide (PubChem CID 103855445) has the molecular formula C13H15ClINO2 and a molecular weight of 379.63 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxycyclohexyl)-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxycyclohexyl)-4-iodobenzamide
PubChem CID103855445
Molecular FormulaC13H15ClINO2
Molecular Weight379.63 g/mol
Exact Mass378.98
IUPAC Name3-chloro-N-(2-hydroxycyclohexyl)-4-iodobenzamide
SMILESO=C(NC1CCCCC1O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H15ClINO2/c14-9-7-8(5-6-10(9)15)13(18)16-11-3-1-2-4-12(11)17/h5-7,11-12,17H,1-4H2,(H,16,18)
InChIKeyGIQGFIKHCZDBFJ-UHFFFAOYSA-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

3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
CID 104956646
3-chloro-N-(2,3-dimethylcyclohexyl)-4-iodobenzamide
CID 103221060
3-amino-4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 94413683
3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 103209748
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 62365415
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 104927151
3-chloro-4-iodo-N-(2-methyloxolan-3-yl)benzamide
CID 103872396
3-chloro-N-[(2-hydroxycyclohexyl)methyl]-4-iodobenzamide
CID 103736731
4-chloro-N-(2-hydroxycyclopentyl)benzamide
CID 14967652
N-[(1R,2R)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 104927094
3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 103209637

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxycyclohexyl)-4-iodobenzamide?
The IUPAC name of 3-chloro-N-(2-hydroxycyclohexyl)-4-iodobenzamide (CID 103855445) is 3-chloro-N-(2-hydroxycyclohexyl)-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxycyclohexyl)-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-(2-hydroxycyclohexyl)-4-iodobenzamide is O=C(NC1CCCCC1O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-hydroxycyclohexyl)-4-iodobenzamide?
The InChIKey is GIQGFIKHCZDBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClINO2/c14-9-7-8(5-6-10(9)15)13(18)16-11-3-1-2-4-12(11)17/h5-7,11-12,17H,1-4H2,(H,16,18).
What are the key properties of 3-chloro-N-(2-hydroxycyclohexyl)-4-iodobenzamide?
3-chloro-N-(2-hydroxycyclohexyl)-4-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 3-chloro-N-(2-hydroxycyclohexyl)-4-iodobenzamide is sourced from PubChem (CID 103855445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).