3-hydroxy-4-iodo-N-(4-methylcyclohexyl)benzamide

C14H18INO2 — CID 113434643

IUPAC3-hydroxy-4-iodo-N-(4-methylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(I)c(O)c2)CC1
InChIInChI=1S/C14H18INO2/c1-9-2-5-11(6-3-9)16-14(18)10-4-7-12(15)13(17)8-10/h4,7-9,11,17H,2-3,5-6H2,1H3,(H,16,18)
InChIKeyNDRVXOASXHAIKZ-UHFFFAOYSA-N
MW359.21 g/mol
LogP3.31
Rot. Bonds2

About 3-hydroxy-4-iodo-N-(4-methylcyclohexyl)benzamide

3-hydroxy-4-iodo-N-(4-methylcyclohexyl)benzamide (PubChem CID 113434643) has the molecular formula C14H18INO2 and a molecular weight of 359.21 g/mol. Its IUPAC name is 3-hydroxy-4-iodo-N-(4-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-4-iodo-N-(4-methylcyclohexyl)benzamide
PubChem CID113434643
Molecular FormulaC14H18INO2
Molecular Weight359.21 g/mol
Exact Mass359.04
IUPAC Name3-hydroxy-4-iodo-N-(4-methylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(I)c(O)c2)CC1
InChIInChI=1S/C14H18INO2/c1-9-2-5-11(6-3-9)16-14(18)10-4-7-12(15)13(17)8-10/h4,7-9,11,17H,2-3,5-6H2,1H3,(H,16,18)
InChIKeyNDRVXOASXHAIKZ-UHFFFAOYSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-iodo-N-(4-methylcyclohexyl)benzamide?
The IUPAC name of 3-hydroxy-4-iodo-N-(4-methylcyclohexyl)benzamide (CID 113434643) is 3-hydroxy-4-iodo-N-(4-methylcyclohexyl)benzamide.
What is the SMILES notation for 3-hydroxy-4-iodo-N-(4-methylcyclohexyl)benzamide?
The canonical SMILES for 3-hydroxy-4-iodo-N-(4-methylcyclohexyl)benzamide is CC1CCC(NC(=O)c2ccc(I)c(O)c2)CC1.
What is the InChIKey of 3-hydroxy-4-iodo-N-(4-methylcyclohexyl)benzamide?
The InChIKey is NDRVXOASXHAIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO2/c1-9-2-5-11(6-3-9)16-14(18)10-4-7-12(15)13(17)8-10/h4,7-9,11,17H,2-3,5-6H2,1H3,(H,16,18).
What are the key properties of 3-hydroxy-4-iodo-N-(4-methylcyclohexyl)benzamide?
3-hydroxy-4-iodo-N-(4-methylcyclohexyl)benzamide has a molecular weight of 359.21 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-iodo-N-(4-methylcyclohexyl)benzamide is sourced from PubChem (CID 113434643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).