N-(2,5-dimethylcyclohexyl)-4-iodobenzamide

C15H20INO — CID 4265183

IUPACN-(2,5-dimethylcyclohexyl)-4-iodobenzamide
SMILESCC1CCC(C)C(NC(=O)c2ccc(I)cc2)C1
InChIInChI=1S/C15H20INO/c1-10-3-4-11(2)14(9-10)17-15(18)12-5-7-13(16)8-6-12/h5-8,10-11,14H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyUKUJCWUKFVTSPO-UHFFFAOYSA-N
MW357.24 g/mol
LogP3.85
Rot. Bonds2

About N-(2,5-dimethylcyclohexyl)-4-iodobenzamide

N-(2,5-dimethylcyclohexyl)-4-iodobenzamide (PubChem CID 4265183) has the molecular formula C15H20INO and a molecular weight of 357.24 g/mol. Its IUPAC name is N-(2,5-dimethylcyclohexyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(2,5-dimethylcyclohexyl)-4-iodobenzamide
PubChem CID4265183
Molecular FormulaC15H20INO
Molecular Weight357.24 g/mol
Exact Mass357.06
IUPAC NameN-(2,5-dimethylcyclohexyl)-4-iodobenzamide
SMILESCC1CCC(C)C(NC(=O)c2ccc(I)cc2)C1
InChIInChI=1S/C15H20INO/c1-10-3-4-11(2)14(9-10)17-15(18)12-5-7-13(16)8-6-12/h5-8,10-11,14H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyUKUJCWUKFVTSPO-UHFFFAOYSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-(2-methylcyclopropyl)benzamide
CID 58185353
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-iodobenzamide
CID 11919878
3-acetamido-N-[(1S,2S,5S)-2,5-dimethylcyclohexyl]-4-methylbenzamide
CID 28914942
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
4-carbamothioyl-N-(2,4-dimethylcyclohexyl)benzamide
CID 63999184
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 62365415
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide
CID 2231103
N-(2-tert-butylcyclohexyl)-4-iodobenzamide
CID 63525981
N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998982
4-bromo-N-(2,4-dimethylcyclohexyl)-3-fluorobenzamide
CID 63997773
[4-(4-iodophenyl)phenyl]-(3-methylcyclopentyl)methanone
CID 142053699

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylcyclohexyl)-4-iodobenzamide?
The IUPAC name of N-(2,5-dimethylcyclohexyl)-4-iodobenzamide (CID 4265183) is N-(2,5-dimethylcyclohexyl)-4-iodobenzamide.
What is the SMILES notation for N-(2,5-dimethylcyclohexyl)-4-iodobenzamide?
The canonical SMILES for N-(2,5-dimethylcyclohexyl)-4-iodobenzamide is CC1CCC(C)C(NC(=O)c2ccc(I)cc2)C1.
What is the InChIKey of N-(2,5-dimethylcyclohexyl)-4-iodobenzamide?
The InChIKey is UKUJCWUKFVTSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20INO/c1-10-3-4-11(2)14(9-10)17-15(18)12-5-7-13(16)8-6-12/h5-8,10-11,14H,3-4,9H2,1-2H3,(H,17,18).
What are the key properties of N-(2,5-dimethylcyclohexyl)-4-iodobenzamide?
N-(2,5-dimethylcyclohexyl)-4-iodobenzamide has a molecular weight of 357.24 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylcyclohexyl)-4-iodobenzamide is sourced from PubChem (CID 4265183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).