N-(2-bromocyclohexyl)-2,6-dichlorobenzamide

C13H14BrCl2NO — CID 113275038

IUPACN-(2-bromocyclohexyl)-2,6-dichlorobenzamide
SMILESO=C(NC1CCCCC1Br)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H14BrCl2NO/c14-8-4-1-2-7-11(8)17-13(18)12-9(15)5-3-6-10(12)16/h3,5-6,8,11H,1-2,4,7H2,(H,17,18)
InChIKeyPMUUUVGXNUMCBC-UHFFFAOYSA-N
MW351.07 g/mol
LogP4.43
Rot. Bonds2

About N-(2-bromocyclohexyl)-2,6-dichlorobenzamide

N-(2-bromocyclohexyl)-2,6-dichlorobenzamide (PubChem CID 113275038) has the molecular formula C13H14BrCl2NO and a molecular weight of 351.07 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-2,6-dichlorobenzamide
PubChem CID113275038
Molecular FormulaC13H14BrCl2NO
Molecular Weight351.07 g/mol
Exact Mass348.96
IUPAC NameN-(2-bromocyclohexyl)-2,6-dichlorobenzamide
SMILESO=C(NC1CCCCC1Br)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H14BrCl2NO/c14-8-4-1-2-7-11(8)17-13(18)12-9(15)5-3-6-10(12)16/h3,5-6,8,11H,1-2,4,7H2,(H,17,18)
InChIKeyPMUUUVGXNUMCBC-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.07
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-bromocyclohexyl)-2,6-dichlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminocyclohexyl)-2,6-dichlorobenzamide
CID 54905013
N-(2-carbamothioylcyclopentyl)-2,6-dichlorobenzamide
CID 62956929
2-chloro-N-(2-hydroxycyclohexyl)-6-nitrobenzamide
CID 63658597
N-(2-bromocyclopentyl)-2-(2-chlorophenyl)acetamide
CID 80662926
N-(2-bromocyclohexyl)-3-hydroxybenzamide
CID 114311869
N-[(1R,2R)-2-bromocyclopentyl]benzamide
CID 135010678
N-[2-(bromomethyl)cyclohexyl]-2-chloro-6-nitrobenzamide
CID 106367266
N-(2-bromocyclohexyl)-3-fluorobenzamide
CID 114311839
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2,6-dichlorobenzamide
CID 7241697
2-chloro-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106364539
N-(2-bromocyclohexyl)-2-hydroxy-3-methylbenzamide
CID 114312067
2-bromo-N-(2-bromocyclopentyl)benzamide
CID 80662128

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-2,6-dichlorobenzamide?
The IUPAC name of N-(2-bromocyclohexyl)-2,6-dichlorobenzamide (CID 113275038) is N-(2-bromocyclohexyl)-2,6-dichlorobenzamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-2,6-dichlorobenzamide?
The canonical SMILES for N-(2-bromocyclohexyl)-2,6-dichlorobenzamide is O=C(NC1CCCCC1Br)c1c(Cl)cccc1Cl.
What is the InChIKey of N-(2-bromocyclohexyl)-2,6-dichlorobenzamide?
The InChIKey is PMUUUVGXNUMCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrCl2NO/c14-8-4-1-2-7-11(8)17-13(18)12-9(15)5-3-6-10(12)16/h3,5-6,8,11H,1-2,4,7H2,(H,17,18).
What are the key properties of N-(2-bromocyclohexyl)-2,6-dichlorobenzamide?
N-(2-bromocyclohexyl)-2,6-dichlorobenzamide has a molecular weight of 351.07 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-2,6-dichlorobenzamide is sourced from PubChem (CID 113275038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).