N-(4-bromo-2-methylbutyl)-2,5-dichlorobenzamide

C12H14BrCl2NO — CID 114316716

IUPACN-(4-bromo-2-methylbutyl)-2,5-dichlorobenzamide
SMILESCC(CCBr)CNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14BrCl2NO/c1-8(4-5-13)7-16-12(17)10-6-9(14)2-3-11(10)15/h2-3,6,8H,4-5,7H2,1H3,(H,16,17)
InChIKeyKITJDGGSGBMBMK-UHFFFAOYSA-N
MW339.06 g/mol
LogP4.14
Rot. Bonds5

About N-(4-bromo-2-methylbutyl)-2,5-dichlorobenzamide

N-(4-bromo-2-methylbutyl)-2,5-dichlorobenzamide (PubChem CID 114316716) has the molecular formula C12H14BrCl2NO and a molecular weight of 339.06 g/mol. Its IUPAC name is N-(4-bromo-2-methylbutyl)-2,5-dichlorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylbutyl)-2,5-dichlorobenzamide
PubChem CID114316716
Molecular FormulaC12H14BrCl2NO
Molecular Weight339.06 g/mol
Exact Mass336.96
IUPAC NameN-(4-bromo-2-methylbutyl)-2,5-dichlorobenzamide
SMILESCC(CCBr)CNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14BrCl2NO/c1-8(4-5-13)7-16-12(17)10-6-9(14)2-3-11(10)15/h2-3,6,8H,4-5,7H2,1H3,(H,16,17)
InChIKeyKITJDGGSGBMBMK-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'}

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Related Compounds

N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide
CID 83179376
2,5-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031874
2-amino-5-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66091263
N-(4-bromo-2-methylbutyl)-2,5-dichlorothiophene-3-carboxamide
CID 107966173
2,5-dichloro-N-(2-methoxypropyl)benzamide
CID 101005301
N-(4-bromo-2-methylbutyl)-2,6-dichlorobenzamide
CID 114316754
2-chloro-N-(4-hydroxy-2-methylbutyl)-5-sulfanylbenzamide
CID 107031763
5-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide
CID 114316915
2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 106502483
5-[(5-chloro-2-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 82009047
N-(4-bromo-2-methylbutyl)-2-hydroxybenzamide
CID 114316832
N-(4-bromo-2-methylbutyl)-2,3-difluorobenzamide
CID 114316854

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylbutyl)-2,5-dichlorobenzamide?
The IUPAC name of N-(4-bromo-2-methylbutyl)-2,5-dichlorobenzamide (CID 114316716) is N-(4-bromo-2-methylbutyl)-2,5-dichlorobenzamide.
What is the SMILES notation for N-(4-bromo-2-methylbutyl)-2,5-dichlorobenzamide?
The canonical SMILES for N-(4-bromo-2-methylbutyl)-2,5-dichlorobenzamide is CC(CCBr)CNC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(4-bromo-2-methylbutyl)-2,5-dichlorobenzamide?
The InChIKey is KITJDGGSGBMBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl2NO/c1-8(4-5-13)7-16-12(17)10-6-9(14)2-3-11(10)15/h2-3,6,8H,4-5,7H2,1H3,(H,16,17).
What are the key properties of N-(4-bromo-2-methylbutyl)-2,5-dichlorobenzamide?
N-(4-bromo-2-methylbutyl)-2,5-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)-2,5-dichlorobenzamide is sourced from PubChem (CID 114316716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).