N-(4-bromo-2-methylbutyl)-2,6-dichlorobenzamide

C12H14BrCl2NO — CID 114316754

IUPACN-(4-bromo-2-methylbutyl)-2,6-dichlorobenzamide
SMILESCC(CCBr)CNC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H14BrCl2NO/c1-8(5-6-13)7-16-12(17)11-9(14)3-2-4-10(11)15/h2-4,8H,5-7H2,1H3,(H,16,17)
InChIKeyFRUQQEFBRNNWEJ-UHFFFAOYSA-N
MW339.06 g/mol
LogP4.14
Rot. Bonds5

About N-(4-bromo-2-methylbutyl)-2,6-dichlorobenzamide

N-(4-bromo-2-methylbutyl)-2,6-dichlorobenzamide (PubChem CID 114316754) has the molecular formula C12H14BrCl2NO and a molecular weight of 339.06 g/mol. Its IUPAC name is N-(4-bromo-2-methylbutyl)-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylbutyl)-2,6-dichlorobenzamide
PubChem CID114316754
Molecular FormulaC12H14BrCl2NO
Molecular Weight339.06 g/mol
Exact Mass336.96
IUPAC NameN-(4-bromo-2-methylbutyl)-2,6-dichlorobenzamide
SMILESCC(CCBr)CNC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H14BrCl2NO/c1-8(5-6-13)7-16-12(17)11-9(14)3-2-4-10(11)15/h2-4,8H,5-7H2,1H3,(H,16,17)
InChIKeyFRUQQEFBRNNWEJ-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.06
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-bromo-2-methylbutyl)-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

2-chloro-N-(4-chloro-2-methylbutyl)-6-fluorobenzamide
CID 114306163
N-(4-bromo-2-methylbutyl)-2,5-dichlorobenzamide
CID 114316716
N-(3-bromo-2-methylpropyl)-2-chloro-6-nitrobenzamide
CID 113275303
N-(4-bromo-2-methylbutyl)-2-hydroxybenzamide
CID 114316832
N-(4-bromo-2-methylbutyl)-2,3-difluorobenzamide
CID 114316854
N-(3-bromopropyl)-2,6-dichlorobenzamide
CID 43133585
2-chloro-N-(4-chloro-2-methylbutyl)benzamide
CID 114306157
2,6-dichloro-N-(2,2-diethoxyethyl)benzamide
CID 79547463
N-(4-bromo-2-methylbutyl)-2,5-dichlorothiophene-3-carboxamide
CID 107966173
2-chloro-N-(4-hydroxy-2-methylpentyl)-6-methoxybenzamide
CID 111540038
N-[2-(2-bromoethyl)pentyl]-2-chloro-6-nitrobenzamide
CID 106118239
N-(2-amino-2-cyclopropylethyl)-2,6-dichlorobenzamide
CID 113282152

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylbutyl)-2,6-dichlorobenzamide?
The IUPAC name of N-(4-bromo-2-methylbutyl)-2,6-dichlorobenzamide (CID 114316754) is N-(4-bromo-2-methylbutyl)-2,6-dichlorobenzamide.
What is the SMILES notation for N-(4-bromo-2-methylbutyl)-2,6-dichlorobenzamide?
The canonical SMILES for N-(4-bromo-2-methylbutyl)-2,6-dichlorobenzamide is CC(CCBr)CNC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of N-(4-bromo-2-methylbutyl)-2,6-dichlorobenzamide?
The InChIKey is FRUQQEFBRNNWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl2NO/c1-8(5-6-13)7-16-12(17)11-9(14)3-2-4-10(11)15/h2-4,8H,5-7H2,1H3,(H,16,17).
What are the key properties of N-(4-bromo-2-methylbutyl)-2,6-dichlorobenzamide?
N-(4-bromo-2-methylbutyl)-2,6-dichlorobenzamide has a molecular weight of 339.06 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylbutyl)-2,6-dichlorobenzamide is sourced from PubChem (CID 114316754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).