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

C15H20INO — CID 64743317

IUPACN-(3,4-dimethylcyclohexyl)-3-iodobenzamide
SMILESCC1CCC(NC(=O)c2cccc(I)c2)CC1C
InChIInChI=1S/C15H20INO/c1-10-6-7-14(8-11(10)2)17-15(18)12-4-3-5-13(16)9-12/h3-5,9-11,14H,6-8H2,1-2H3,(H,17,18)
InChIKeyRLSBZRKJMZNKBG-UHFFFAOYSA-N
MW357.24 g/mol
LogP3.85
Rot. Bonds2

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

N-(3,4-dimethylcyclohexyl)-3-iodobenzamide (PubChem CID 64743317) has the molecular formula C15H20INO and a molecular weight of 357.24 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-3-iodobenzamide.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-3-iodobenzamide
PubChem CID64743317
Molecular FormulaC15H20INO
Molecular Weight357.24 g/mol
Exact Mass357.06
IUPAC NameN-(3,4-dimethylcyclohexyl)-3-iodobenzamide
SMILESCC1CCC(NC(=O)c2cccc(I)c2)CC1C
InChIInChI=1S/C15H20INO/c1-10-6-7-14(8-11(10)2)17-15(18)12-4-3-5-13(16)9-12/h3-5,9-11,14H,6-8H2,1-2H3,(H,17,18)
InChIKeyRLSBZRKJMZNKBG-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

3-[(3,4-dimethylcyclohexyl)carbamoyl]benzoic acid
CID 64742565
3-iodo-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103708502
N-(3,4-dimethylcyclohexyl)-3-sulfamoylbenzamide
CID 64743154
N-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride
CID 119474943
N-(3,4-dimethylcyclohexyl)-2-oxo-1H-pyridine-4-carboxamide
CID 104578730
4-amino-N-(3,4-dimethylcyclohexyl)benzamide
CID 64738901
3-iodo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide
CID 7332918
4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)benzamide
CID 64740085
3-methyl-N-(3-methylcyclopentyl)benzamide
CID 114550136
4-amino-N-(3,4-dimethylcyclohexyl)-3,5-difluorobenzamide
CID 64741481
2-[(3-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813119
3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114549458

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-3-iodobenzamide?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-3-iodobenzamide (CID 64743317) is N-(3,4-dimethylcyclohexyl)-3-iodobenzamide.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-3-iodobenzamide?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-3-iodobenzamide is CC1CCC(NC(=O)c2cccc(I)c2)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-3-iodobenzamide?
The InChIKey is RLSBZRKJMZNKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20INO/c1-10-6-7-14(8-11(10)2)17-15(18)12-4-3-5-13(16)9-12/h3-5,9-11,14H,6-8H2,1-2H3,(H,17,18).
What are the key properties of N-(3,4-dimethylcyclohexyl)-3-iodobenzamide?
N-(3,4-dimethylcyclohexyl)-3-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-(3,4-dimethylcyclohexyl)-3-iodobenzamide is sourced from PubChem (CID 64743317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).