3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide

C12H14BrCl2NO — CID 107941583

IUPAC3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
SMILESCC(C)C(CCl)NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H14BrCl2NO/c1-7(2)11(6-14)16-12(17)8-3-9(13)5-10(15)4-8/h3-5,7,11H,6H2,1-2H3,(H,16,17)
InChIKeyXQYGHGYGNXWGAO-UHFFFAOYSA-N
MW339.06 g/mol
LogP4.10
Rot. Bonds4

About 3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide

3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide (PubChem CID 107941583) has the molecular formula C12H14BrCl2NO and a molecular weight of 339.06 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
PubChem CID107941583
Molecular FormulaC12H14BrCl2NO
Molecular Weight339.06 g/mol
Exact Mass336.96
IUPAC Name3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
SMILESCC(C)C(CCl)NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H14BrCl2NO/c1-7(2)11(6-14)16-12(17)8-3-9(13)5-10(15)4-8/h3-5,7,11H,6H2,1-2H3,(H,16,17)
InChIKeyXQYGHGYGNXWGAO-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

3,5-dibromo-N-(2-methylpentan-3-yl)benzamide
CID 107980373
3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide
CID 107941244
N-(1-bromo-3-methylbutan-2-yl)-3,5-dichlorobenzamide
CID 114316290
3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 107973108
3-bromo-N-(4-bromobutan-2-yl)-5-chlorobenzamide
CID 107941338
3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79252918
4-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
CID 114305535
3-bromo-5-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide
CID 106355662
3-bromo-5-chloro-N-(1-methoxypropan-2-yl)benzamide
CID 103826410
methyl 2-[(3-bromo-5-chlorobenzoyl)amino]-3-methylbutanoate
CID 103827001
3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide
CID 107952489
N-(1-chloro-3-methylbutan-2-yl)-3,4,5-trifluorobenzamide
CID 113273517

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide (CID 107941583) is 3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide is CC(C)C(CCl)NC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide?
The InChIKey is XQYGHGYGNXWGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl2NO/c1-7(2)11(6-14)16-12(17)8-3-9(13)5-10(15)4-8/h3-5,7,11H,6H2,1-2H3,(H,16,17).
What are the key properties of 3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide?
3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)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 3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 107941583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).