3-chloro-N-(2,3-dimethylcyclohexyl)-4-iodobenzamide

C15H19ClINO — CID 103221060

IUPAC3-chloro-N-(2,3-dimethylcyclohexyl)-4-iodobenzamide
SMILESCC1CCCC(NC(=O)c2ccc(I)c(Cl)c2)C1C
InChIInChI=1S/C15H19ClINO/c1-9-4-3-5-14(10(9)2)18-15(19)11-6-7-13(17)12(16)8-11/h6-10,14H,3-5H2,1-2H3,(H,18,19)
InChIKeyVBDDOUORCUBZJL-UHFFFAOYSA-N
MW391.68 g/mol
LogP4.50
Rot. Bonds2

About 3-chloro-N-(2,3-dimethylcyclohexyl)-4-iodobenzamide

3-chloro-N-(2,3-dimethylcyclohexyl)-4-iodobenzamide (PubChem CID 103221060) has the molecular formula C15H19ClINO and a molecular weight of 391.68 g/mol. Its IUPAC name is 3-chloro-N-(2,3-dimethylcyclohexyl)-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-(2,3-dimethylcyclohexyl)-4-iodobenzamide
PubChem CID103221060
Molecular FormulaC15H19ClINO
Molecular Weight391.68 g/mol
Exact Mass391.02
IUPAC Name3-chloro-N-(2,3-dimethylcyclohexyl)-4-iodobenzamide
SMILESCC1CCCC(NC(=O)c2ccc(I)c(Cl)c2)C1C
InChIInChI=1S/C15H19ClINO/c1-9-4-3-5-14(10(9)2)18-15(19)11-6-7-13(17)12(16)8-11/h6-10,14H,3-5H2,1-2H3,(H,18,19)
InChIKeyVBDDOUORCUBZJL-UHFFFAOYSA-N
XLogP4.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.68
LogP ≤ 54.50
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

3-chloro-N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 103855445
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-iodobenzamide
CID 11919878
3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 103209748
N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide
CID 103955392
3-chloro-4-iodo-N-(2-methyloxolan-3-yl)benzamide
CID 103872396
N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 25162668
4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide
CID 126843777
4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide
CID 16785407
2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide
CID 43007916
3-hydroxy-4-iodo-N-(2-methylcyclohexyl)benzamide
CID 104627390
N-(2,3-dimethylcyclohexyl)-4-(dimethylsulfamoyl)benzamide
CID 17388431
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(dimethylsulfamoyl)benzamide
CID 26797148

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,3-dimethylcyclohexyl)-4-iodobenzamide?
The IUPAC name of 3-chloro-N-(2,3-dimethylcyclohexyl)-4-iodobenzamide (CID 103221060) is 3-chloro-N-(2,3-dimethylcyclohexyl)-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-(2,3-dimethylcyclohexyl)-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-(2,3-dimethylcyclohexyl)-4-iodobenzamide is CC1CCCC(NC(=O)c2ccc(I)c(Cl)c2)C1C.
What is the InChIKey of 3-chloro-N-(2,3-dimethylcyclohexyl)-4-iodobenzamide?
The InChIKey is VBDDOUORCUBZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClINO/c1-9-4-3-5-14(10(9)2)18-15(19)11-6-7-13(17)12(16)8-11/h6-10,14H,3-5H2,1-2H3,(H,18,19).
What are the key properties of 3-chloro-N-(2,3-dimethylcyclohexyl)-4-iodobenzamide?
3-chloro-N-(2,3-dimethylcyclohexyl)-4-iodobenzamide has a molecular weight of 391.68 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,3-dimethylcyclohexyl)-4-iodobenzamide is sourced from PubChem (CID 103221060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).