2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide

C12H14BrCl2NO — CID 107994084

IUPAC2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
SMILESCC(C)(CCl)CNC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H14BrCl2NO/c1-12(2,6-14)7-16-11(17)9-4-3-8(15)5-10(9)13/h3-5H,6-7H2,1-2H3,(H,16,17)
InChIKeyDMLLWMODXULTHQ-UHFFFAOYSA-N
MW339.06 g/mol
LogP4.10
Rot. Bonds4

About 2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide

2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide (PubChem CID 107994084) has the molecular formula C12H14BrCl2NO and a molecular weight of 339.06 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
PubChem CID107994084
Molecular FormulaC12H14BrCl2NO
Molecular Weight339.06 g/mol
Exact Mass336.96
IUPAC Name2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
SMILESCC(C)(CCl)CNC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H14BrCl2NO/c1-12(2,6-14)7-16-11(17)9-4-3-8(15)5-10(9)13/h3-5H,6-7H2,1-2H3,(H,16,17)
InChIKeyDMLLWMODXULTHQ-UHFFFAOYSA-N
XLogP4.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.06
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide 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-bromo-4-chloro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103825239
4-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-hydroxybenzamide
CID 115364597
2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364431
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromo-4-chlorobenzamide
CID 113257326
5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 82890585
2-bromo-4-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)benzamide
CID 107994107
N-(2-amino-2-ethylbutyl)-2-bromo-4-chlorobenzamide;hydrochloride
CID 119642321
2-[[(2-bromo-4-chlorobenzoyl)amino]methyl]-2-ethylbutanoic acid
CID 107986918
5-bromo-2-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364457
5-bromo-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 115364480
4-bromo-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 115364523
2-bromo-5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899354

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide (CID 107994084) is 2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide is CC(C)(CCl)CNC(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide?
The InChIKey is DMLLWMODXULTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl2NO/c1-12(2,6-14)7-16-11(17)9-4-3-8(15)5-10(9)13/h3-5H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide?
2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide has a molecular weight of 339.06 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide is sourced from PubChem (CID 107994084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).