N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-iodobenzamide

C15H20INO2 — CID 62526843

IUPACN-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-iodobenzamide
SMILESCC1CCCC(CO)(NC(=O)c2cccc(I)c2)C1
InChIInChI=1S/C15H20INO2/c1-11-4-3-7-15(9-11,10-18)17-14(19)12-5-2-6-13(16)8-12/h2,5-6,8,11,18H,3-4,7,9-10H2,1H3,(H,17,19)
InChIKeyAOBVBXSQUJJIIW-UHFFFAOYSA-N
MW373.23 g/mol
LogP2.96
Rot. Bonds3

About N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-iodobenzamide

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-iodobenzamide (PubChem CID 62526843) has the molecular formula C15H20INO2 and a molecular weight of 373.23 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-iodobenzamide
PubChem CID62526843
Molecular FormulaC15H20INO2
Molecular Weight373.23 g/mol
Exact Mass373.05
IUPAC NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-iodobenzamide
SMILESCC1CCCC(CO)(NC(=O)c2cccc(I)c2)C1
InChIInChI=1S/C15H20INO2/c1-11-4-3-7-15(9-11,10-18)17-14(19)12-5-2-6-13(16)8-12/h2,5-6,8,11,18H,3-4,7,9-10H2,1H3,(H,17,19)
InChIKeyAOBVBXSQUJJIIW-UHFFFAOYSA-N
XLogP2.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-iodobenzamide?
The IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-iodobenzamide (CID 62526843) is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-iodobenzamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-iodobenzamide?
The canonical SMILES for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-iodobenzamide is CC1CCCC(CO)(NC(=O)c2cccc(I)c2)C1.
What is the InChIKey of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-iodobenzamide?
The InChIKey is AOBVBXSQUJJIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20INO2/c1-11-4-3-7-15(9-11,10-18)17-14(19)12-5-2-6-13(16)8-12/h2,5-6,8,11,18H,3-4,7,9-10H2,1H3,(H,17,19).
What are the key properties of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-iodobenzamide?
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-iodobenzamide has a molecular weight of 373.23 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-iodobenzamide is sourced from PubChem (CID 62526843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).