N-(2-cyclohexyl-2-hydroxyethyl)-2-iodobenzamide

C15H20INO2 — CID 90498837

IUPACN-(2-cyclohexyl-2-hydroxyethyl)-2-iodobenzamide
SMILESO=C(NCC(O)C1CCCCC1)c1ccccc1I
InChIInChI=1S/C15H20INO2/c16-13-9-5-4-8-12(13)15(19)17-10-14(18)11-6-2-1-3-7-11/h4-5,8-9,11,14,18H,1-3,6-7,10H2,(H,17,19)
InChIKeyVAPGDKJJVGIOPB-UHFFFAOYSA-N
MW373.23 g/mol
LogP2.96
Rot. Bonds4

About N-(2-cyclohexyl-2-hydroxyethyl)-2-iodobenzamide

N-(2-cyclohexyl-2-hydroxyethyl)-2-iodobenzamide (PubChem CID 90498837) has the molecular formula C15H20INO2 and a molecular weight of 373.23 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-hydroxyethyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-hydroxyethyl)-2-iodobenzamide
PubChem CID90498837
Molecular FormulaC15H20INO2
Molecular Weight373.23 g/mol
Exact Mass373.05
IUPAC NameN-(2-cyclohexyl-2-hydroxyethyl)-2-iodobenzamide
SMILESO=C(NCC(O)C1CCCCC1)c1ccccc1I
InChIInChI=1S/C15H20INO2/c16-13-9-5-4-8-12(13)15(19)17-10-14(18)11-6-2-1-3-7-11/h4-5,8-9,11,14,18H,1-3,6-7,10H2,(H,17,19)
InChIKeyVAPGDKJJVGIOPB-UHFFFAOYSA-N
XLogP2.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 52.96
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

2-amino-N-(2-cyclohexyl-2-hydroxyethyl)benzamide
CID 119944694
N-(2-bromo-2-cyclopropylethyl)-2-iodobenzamide
CID 114315773
N-(cyclohexylmethyl)-2-iodobenzamide
CID 2677280
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-4-phenylbenzamide
CID 95367502
N-(2-cyclopentyl-2-hydroxyethyl)-2-methylpyridine-3-carboxamide
CID 111425985
N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide
CID 81487660
N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-(trifluoromethyl)benzamide
CID 95388210
4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide
CID 95292167
N-(2-cyclopentyl-2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide
CID 111425991
N-(2-cyclopentyl-2-hydroxyethyl)-2-methylfuran-3-carboxamide
CID 111426337
N-(2-cyclopentyl-2-hydroxyethyl)-2,5-dimethylbenzamide
CID 111425732
N-(2-cyclopentyl-2-hydroxyethyl)-1H-indazole-7-carboxamide
CID 111426218

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-2-iodobenzamide?
The IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-2-iodobenzamide (CID 90498837) is N-(2-cyclohexyl-2-hydroxyethyl)-2-iodobenzamide.
What is the SMILES notation for N-(2-cyclohexyl-2-hydroxyethyl)-2-iodobenzamide?
The canonical SMILES for N-(2-cyclohexyl-2-hydroxyethyl)-2-iodobenzamide is O=C(NCC(O)C1CCCCC1)c1ccccc1I.
What is the InChIKey of N-(2-cyclohexyl-2-hydroxyethyl)-2-iodobenzamide?
The InChIKey is VAPGDKJJVGIOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20INO2/c16-13-9-5-4-8-12(13)15(19)17-10-14(18)11-6-2-1-3-7-11/h4-5,8-9,11,14,18H,1-3,6-7,10H2,(H,17,19).
What are the key properties of N-(2-cyclohexyl-2-hydroxyethyl)-2-iodobenzamide?
N-(2-cyclohexyl-2-hydroxyethyl)-2-iodobenzamide has a molecular weight of 373.23 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-hydroxyethyl)-2-iodobenzamide is sourced from PubChem (CID 90498837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).