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

C13H15FINO2 — CID 113225219

IUPAC4-fluoro-N-(3-hydroxycyclohexyl)-2-iodobenzamide
SMILESO=C(NC1CCCC(O)C1)c1ccc(F)cc1I
InChIInChI=1S/C13H15FINO2/c14-8-4-5-11(12(15)6-8)13(18)16-9-2-1-3-10(17)7-9/h4-6,9-10,17H,1-3,7H2,(H,16,18)
InChIKeySRAKWXODQXSJSW-UHFFFAOYSA-N
MW363.17 g/mol
LogP2.46
Rot. Bonds2

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

4-fluoro-N-(3-hydroxycyclohexyl)-2-iodobenzamide (PubChem CID 113225219) has the molecular formula C13H15FINO2 and a molecular weight of 363.17 g/mol. Its IUPAC name is 4-fluoro-N-(3-hydroxycyclohexyl)-2-iodobenzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-hydroxycyclohexyl)-2-iodobenzamide
PubChem CID113225219
Molecular FormulaC13H15FINO2
Molecular Weight363.17 g/mol
Exact Mass363.01
IUPAC Name4-fluoro-N-(3-hydroxycyclohexyl)-2-iodobenzamide
SMILESO=C(NC1CCCC(O)C1)c1ccc(F)cc1I
InChIInChI=1S/C13H15FINO2/c14-8-4-5-11(12(15)6-8)13(18)16-9-2-1-3-10(17)7-9/h4-6,9-10,17H,1-3,7H2,(H,16,18)
InChIKeySRAKWXODQXSJSW-UHFFFAOYSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.17
LogP ≤ 52.46
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-4-fluoro-N-(3-hydroxycyclohexyl)benzamide
CID 63110638
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-2-iodobenzamide;hydrochloride
CID 119459355
N-cyclobutyl-2,4-difluorobenzamide
CID 70247338
N-(3-hydroxycyclohexyl)-2-iodo-5-nitrobenzamide
CID 60978079
3-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107013540
N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzamide
CID 95983826
2-bromo-N-cyclopentyl-4-fluorobenzamide
CID 9209126
2-amino-N-cycloheptyl-4-fluorobenzamide
CID 55139018
2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 24693747
N-[(1S,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-5-fluoro-2-hydroxybenzamide
CID 96562007
2,5-difluoro-N-(2-hydroxycyclopentyl)benzamide
CID 43835745
N-cyclobutyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62416791

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-hydroxycyclohexyl)-2-iodobenzamide?
The IUPAC name of 4-fluoro-N-(3-hydroxycyclohexyl)-2-iodobenzamide (CID 113225219) is 4-fluoro-N-(3-hydroxycyclohexyl)-2-iodobenzamide.
What is the SMILES notation for 4-fluoro-N-(3-hydroxycyclohexyl)-2-iodobenzamide?
The canonical SMILES for 4-fluoro-N-(3-hydroxycyclohexyl)-2-iodobenzamide is O=C(NC1CCCC(O)C1)c1ccc(F)cc1I.
What is the InChIKey of 4-fluoro-N-(3-hydroxycyclohexyl)-2-iodobenzamide?
The InChIKey is SRAKWXODQXSJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FINO2/c14-8-4-5-11(12(15)6-8)13(18)16-9-2-1-3-10(17)7-9/h4-6,9-10,17H,1-3,7H2,(H,16,18).
What are the key properties of 4-fluoro-N-(3-hydroxycyclohexyl)-2-iodobenzamide?
4-fluoro-N-(3-hydroxycyclohexyl)-2-iodobenzamide has a molecular weight of 363.17 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-hydroxycyclohexyl)-2-iodobenzamide is sourced from PubChem (CID 113225219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).