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

C12H14BrCl2NO — CID 115364457

IUPAC5-bromo-2-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
SMILESCC(C)(CCl)CNC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H14BrCl2NO/c1-12(2,6-14)7-16-11(17)9-5-8(13)3-4-10(9)15/h3-5H,6-7H2,1-2H3,(H,16,17)
InChIKeyGTKBRHYSWQFBRW-UHFFFAOYSA-N
MW339.06 g/mol
LogP4.10
Rot. Bonds4

About 5-bromo-2-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide

5-bromo-2-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide (PubChem CID 115364457) has the molecular formula C12H14BrCl2NO and a molecular weight of 339.06 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
PubChem CID115364457
Molecular FormulaC12H14BrCl2NO
Molecular Weight339.06 g/mol
Exact Mass336.96
IUPAC Name5-bromo-2-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
SMILESCC(C)(CCl)CNC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H14BrCl2NO/c1-12(2,6-14)7-16-11(17)9-5-8(13)3-4-10(9)15/h3-5H,6-7H2,1-2H3,(H,16,17)
InChIKeyGTKBRHYSWQFBRW-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'}

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Related Compounds

5-bromo-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 115364480
N-(2-amino-2-methylpropyl)-5-bromo-2-chlorobenzamide;hydrochloride
CID 119629541
2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364431
4-bromo-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 115364523
5-bromo-2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)benzamide
CID 90499338
N-(2-amino-2-ethylbutyl)-5-bromo-2-chlorobenzamide;hydrochloride
CID 119642954
5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103709313
5-bromo-2-chloro-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 110413932
2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 107994084
N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide
CID 115364763
3-[(5-bromo-2-chlorobenzoyl)amino]-2-methylpropanoic acid
CID 55105060
5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503330

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide (CID 115364457) is 5-bromo-2-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide is CC(C)(CCl)CNC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide?
The InChIKey is GTKBRHYSWQFBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl2NO/c1-12(2,6-14)7-16-11(17)9-5-8(13)3-4-10(9)15/h3-5H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-2-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide?
5-bromo-2-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 5-bromo-2-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide is sourced from PubChem (CID 115364457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).