N-(2-hydroxycyclohexyl)-4-iodobenzamide

C13H16INO2 — CID 62365415

IUPACN-(2-hydroxycyclohexyl)-4-iodobenzamide
SMILESO=C(NC1CCCCC1O)c1ccc(I)cc1
InChIInChI=1S/C13H16INO2/c14-10-7-5-9(6-8-10)13(17)15-11-3-1-2-4-12(11)16/h5-8,11-12,16H,1-4H2,(H,15,17)
InChIKeyIVZSIPQEHPTWFU-UHFFFAOYSA-N
MW345.18 g/mol
LogP2.32
Rot. Bonds2

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

N-(2-hydroxycyclohexyl)-4-iodobenzamide (PubChem CID 62365415) has the molecular formula C13H16INO2 and a molecular weight of 345.18 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-4-iodobenzamide
PubChem CID62365415
Molecular FormulaC13H16INO2
Molecular Weight345.18 g/mol
Exact Mass345.02
IUPAC NameN-(2-hydroxycyclohexyl)-4-iodobenzamide
SMILESO=C(NC1CCCCC1O)c1ccc(I)cc1
InChIInChI=1S/C13H16INO2/c14-10-7-5-9(6-8-10)13(17)15-11-3-1-2-4-12(11)16/h5-8,11-12,16H,1-4H2,(H,15,17)
InChIKeyIVZSIPQEHPTWFU-UHFFFAOYSA-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

4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 27109566
4-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 3294155
N-(2-tert-butylcyclohexyl)-4-iodobenzamide
CID 63525981
N-(2-hydroxycyclohexyl)-4-(methylamino)benzamide
CID 62360968
4-chloro-N-(2-hydroxycyclopentyl)benzamide
CID 14967652
4-(dimethylamino)-N-[(2S)-2-hydroxycyclohexyl]benzamide
CID 134880490
4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927556
N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 36691439
3-chloro-N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 103855445
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-iodobenzamide
CID 11919878
N-[(1S,2S)-2-hydroxycyclohexyl]-5-iodothiophene-3-carboxamide
CID 104956640

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-4-iodobenzamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-4-iodobenzamide (CID 62365415) is N-(2-hydroxycyclohexyl)-4-iodobenzamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-4-iodobenzamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-4-iodobenzamide is O=C(NC1CCCCC1O)c1ccc(I)cc1.
What is the InChIKey of N-(2-hydroxycyclohexyl)-4-iodobenzamide?
The InChIKey is IVZSIPQEHPTWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INO2/c14-10-7-5-9(6-8-10)13(17)15-11-3-1-2-4-12(11)16/h5-8,11-12,16H,1-4H2,(H,15,17).
What are the key properties of N-(2-hydroxycyclohexyl)-4-iodobenzamide?
N-(2-hydroxycyclohexyl)-4-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-(2-hydroxycyclohexyl)-4-iodobenzamide is sourced from PubChem (CID 62365415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).