N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide

C12H14BrCl2NO — CID 115364763

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

About N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide

N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide (PubChem CID 115364763) has the molecular formula C12H14BrCl2NO and a molecular weight of 339.06 g/mol. Its IUPAC name is N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide.

Molecular Properties

Compound NameN-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide
PubChem CID115364763
Molecular FormulaC12H14BrCl2NO
Molecular Weight339.06 g/mol
Exact Mass336.96
IUPAC NameN-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide
SMILESCC(C)(CBr)CNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14BrCl2NO/c1-12(2,6-13)7-16-11(17)9-5-8(14)3-4-10(9)15/h3-5H,6-7H2,1-2H3,(H,16,17)
InChIKeyRRPQRNWKJNHRPS-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
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

2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364431
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
CID 106144748
N-(3-bromo-2,2-dimethylpropyl)-4-chloro-3-fluorobenzamide
CID 107994092
N-(3-bromo-2,2-dimethylpropyl)-4-chloro-2,5-difluorobenzamide
CID 82773293
2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103839782
2-amino-5-chloro-N-(2,2-dimethylbutyl)benzamide
CID 103459946
N-(3-bromo-2,2-dimethylpropyl)-2-fluoro-5-methylbenzamide
CID 115364948
5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 82890585
N-(3-bromo-2,2-dimethylpropyl)-2,3,4-trifluorobenzamide
CID 115364841
N-(4-bromo-2,2-dimethylbutyl)-2-chloro-5-hydroxybenzamide
CID 106143650
2,5-dichloro-N-(1,1-dideuterio-2-oxopropyl)benzamide
CID 159122733
5-bromo-2-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364457

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide?
The IUPAC name of N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide (CID 115364763) is N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide.
What is the SMILES notation for N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide?
The canonical SMILES for N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide is CC(C)(CBr)CNC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide?
The InChIKey is RRPQRNWKJNHRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl2NO/c1-12(2,6-13)7-16-11(17)9-5-8(14)3-4-10(9)15/h3-5H,6-7H2,1-2H3,(H,16,17).
What are the key properties of N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide?
N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide has a molecular weight of 339.06 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide is sourced from PubChem (CID 115364763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).