5-chloro-N-cyclohexyl-2-iodo-N-methylbenzamide

C14H17ClINO — CID 113222858

IUPAC5-chloro-N-cyclohexyl-2-iodo-N-methylbenzamide
SMILESCN(C(=O)c1cc(Cl)ccc1I)C1CCCCC1
InChIInChI=1S/C14H17ClINO/c1-17(11-5-3-2-4-6-11)14(18)12-9-10(15)7-8-13(12)16/h7-9,11H,2-6H2,1H3
InChIKeyXSNJRRGQWNAYIK-UHFFFAOYSA-N
MW377.65 g/mol
LogP4.35
Rot. Bonds2

About 5-chloro-N-cyclohexyl-2-iodo-N-methylbenzamide

5-chloro-N-cyclohexyl-2-iodo-N-methylbenzamide (PubChem CID 113222858) has the molecular formula C14H17ClINO and a molecular weight of 377.65 g/mol. Its IUPAC name is 5-chloro-N-cyclohexyl-2-iodo-N-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-cyclohexyl-2-iodo-N-methylbenzamide
PubChem CID113222858
Molecular FormulaC14H17ClINO
Molecular Weight377.65 g/mol
Exact Mass377.00
IUPAC Name5-chloro-N-cyclohexyl-2-iodo-N-methylbenzamide
SMILESCN(C(=O)c1cc(Cl)ccc1I)C1CCCCC1
InChIInChI=1S/C14H17ClINO/c1-17(11-5-3-2-4-6-11)14(18)12-9-10(15)7-8-13(12)16/h7-9,11H,2-6H2,1H3
InChIKeyXSNJRRGQWNAYIK-UHFFFAOYSA-N
XLogP4.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.65
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-chloro-N-cyclohexyl-N-methylbenzamide
CID 16781756
5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide
CID 115649144
4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide
CID 112805278
2-amino-3,5-dichloro-N-cyclohexyl-N-methylbenzamide
CID 69376073
3-chloro-N-cycloheptyl-4-iodo-N-methylbenzamide
CID 103221242
3-chloro-N-cyclobutyl-4-iodo-N-methylbenzamide
CID 103737051
N-(3-bromopropyl)-5-chloro-N-cyclobutyl-2-iodobenzamide
CID 114029735
N-cyclohexyl-2-fluoro-N,5-dimethylbenzamide
CID 62510377
5-chloro-N-cyclopropyl-2-hydrazinyl-N-methylbenzamide
CID 62243364
N-(azepan-4-yl)-5-chloro-2-hydroxy-N-methylbenzamide
CID 107172538
5-amino-N-cyclohexyl-2-fluoro-N-methylbenzamide
CID 43510713
2-[cycloheptyl(methyl)amino]-1-(2,5-dichlorophenyl)ethanone
CID 43797615

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclohexyl-2-iodo-N-methylbenzamide?
The IUPAC name of 5-chloro-N-cyclohexyl-2-iodo-N-methylbenzamide (CID 113222858) is 5-chloro-N-cyclohexyl-2-iodo-N-methylbenzamide.
What is the SMILES notation for 5-chloro-N-cyclohexyl-2-iodo-N-methylbenzamide?
The canonical SMILES for 5-chloro-N-cyclohexyl-2-iodo-N-methylbenzamide is CN(C(=O)c1cc(Cl)ccc1I)C1CCCCC1.
What is the InChIKey of 5-chloro-N-cyclohexyl-2-iodo-N-methylbenzamide?
The InChIKey is XSNJRRGQWNAYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClINO/c1-17(11-5-3-2-4-6-11)14(18)12-9-10(15)7-8-13(12)16/h7-9,11H,2-6H2,1H3.
What are the key properties of 5-chloro-N-cyclohexyl-2-iodo-N-methylbenzamide?
5-chloro-N-cyclohexyl-2-iodo-N-methylbenzamide has a molecular weight of 377.65 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclohexyl-2-iodo-N-methylbenzamide is sourced from PubChem (CID 113222858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).