N-(1-bromo-3-methylbutan-2-yl)-3,5-dichlorobenzamide

C12H14BrCl2NO — CID 114316290

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

About N-(1-bromo-3-methylbutan-2-yl)-3,5-dichlorobenzamide

N-(1-bromo-3-methylbutan-2-yl)-3,5-dichlorobenzamide (PubChem CID 114316290) has the molecular formula C12H14BrCl2NO and a molecular weight of 339.06 g/mol. Its IUPAC name is N-(1-bromo-3-methylbutan-2-yl)-3,5-dichlorobenzamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylbutan-2-yl)-3,5-dichlorobenzamide
PubChem CID114316290
Molecular FormulaC12H14BrCl2NO
Molecular Weight339.06 g/mol
Exact Mass336.96
IUPAC NameN-(1-bromo-3-methylbutan-2-yl)-3,5-dichlorobenzamide
SMILESCC(C)C(CBr)NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H14BrCl2NO/c1-7(2)11(6-13)16-12(17)8-3-9(14)5-10(15)4-8/h3-5,7,11H,6H2,1-2H3,(H,16,17)
InChIKeyCGJKBSWVCNMWOD-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'}

Analyze N-(1-bromo-3-methylbutan-2-yl)-3,5-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

3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79252918
3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254978
3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
CID 107941583
N-(1-bromo-3-methylbutan-2-yl)-3,5-dimethoxybenzamide
CID 114316286
N-(1-bromobutan-2-yl)-3,5-dichlorobenzamide
CID 114307803
N-(1-bromo-3-methylbutan-2-yl)-5-chloro-2-methylbenzamide
CID 82891279
3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide
CID 107941244
3-chloro-N-(1-chloro-4-methylpentan-3-yl)-5-methylbenzamide
CID 106355004
2-[(3,5-dichlorobenzoyl)amino]-3-methylbutanoic acid
CID 16773523
N-(1-bromo-3-methylbutan-2-yl)-3-fluorobenzamide
CID 114315995
N-(1-bromo-3-methylbutan-2-yl)-5-fluoropyridine-3-carboxamide
CID 104786627
N-(1-bromo-3-methylbutan-2-yl)-3,4-dimethoxybenzamide
CID 113275998

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylbutan-2-yl)-3,5-dichlorobenzamide?
The IUPAC name of N-(1-bromo-3-methylbutan-2-yl)-3,5-dichlorobenzamide (CID 114316290) is N-(1-bromo-3-methylbutan-2-yl)-3,5-dichlorobenzamide.
What is the SMILES notation for N-(1-bromo-3-methylbutan-2-yl)-3,5-dichlorobenzamide?
The canonical SMILES for N-(1-bromo-3-methylbutan-2-yl)-3,5-dichlorobenzamide is CC(C)C(CBr)NC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(1-bromo-3-methylbutan-2-yl)-3,5-dichlorobenzamide?
The InChIKey is CGJKBSWVCNMWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl2NO/c1-7(2)11(6-13)16-12(17)8-3-9(14)5-10(15)4-8/h3-5,7,11H,6H2,1-2H3,(H,16,17).
What are the key properties of N-(1-bromo-3-methylbutan-2-yl)-3,5-dichlorobenzamide?
N-(1-bromo-3-methylbutan-2-yl)-3,5-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-(1-bromo-3-methylbutan-2-yl)-3,5-dichlorobenzamide is sourced from PubChem (CID 114316290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).