5-bromo-N-(4-bromo-3,5-dimethylphenyl)pentanamide

C13H17Br2NO — CID 66818039

IUPAC5-bromo-N-(4-bromo-3,5-dimethylphenyl)pentanamide
SMILESCc1cc(NC(=O)CCCCBr)cc(C)c1Br
InChIInChI=1S/C13H17Br2NO/c1-9-7-11(8-10(2)13(9)15)16-12(17)5-3-4-6-14/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyUPGDISSJRFLXRG-UHFFFAOYSA-N
MW363.09 g/mol
LogP4.57
Rot. Bonds5

About 5-bromo-N-(4-bromo-3,5-dimethylphenyl)pentanamide

5-bromo-N-(4-bromo-3,5-dimethylphenyl)pentanamide (PubChem CID 66818039) has the molecular formula C13H17Br2NO and a molecular weight of 363.09 g/mol. Its IUPAC name is 5-bromo-N-(4-bromo-3,5-dimethylphenyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(4-bromo-3,5-dimethylphenyl)pentanamide
PubChem CID66818039
Molecular FormulaC13H17Br2NO
Molecular Weight363.09 g/mol
Exact Mass360.97
IUPAC Name5-bromo-N-(4-bromo-3,5-dimethylphenyl)pentanamide
SMILESCc1cc(NC(=O)CCCCBr)cc(C)c1Br
InChIInChI=1S/C13H17Br2NO/c1-9-7-11(8-10(2)13(9)15)16-12(17)5-3-4-6-14/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyUPGDISSJRFLXRG-UHFFFAOYSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.09
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(4-bromo-3,5-dimethylphenyl)acetamide
CID 107574130
N-(4-bromo-3,5-dimethylphenyl)-3-(propan-2-ylamino)propanamide
CID 107574235
N-(4-bromo-3,5-dimethylphenyl)-3,3-dimethylbutanamide
CID 107574880
5-bromo-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
CID 107908652
7-bromo-N-phenylheptanamide
CID 11266084
5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide
CID 103601676
4-bromo-N-(2,4,6-trimethylphenyl)butanamide
CID 18423533
4-bromo-N-(3,4,5-trichlorophenyl)butanamide
CID 71446010
5-bromo-N-(4-methylsulfanylphenyl)pentanamide
CID 107907215
11-bromo-N-(2-methylphenyl)undecanamide
CID 51058287
N,N'-bis(3,5-diacetylphenyl)octanediamide
CID 15541279
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CID 107574186

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromo-3,5-dimethylphenyl)pentanamide?
The IUPAC name of 5-bromo-N-(4-bromo-3,5-dimethylphenyl)pentanamide (CID 66818039) is 5-bromo-N-(4-bromo-3,5-dimethylphenyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(4-bromo-3,5-dimethylphenyl)pentanamide?
The canonical SMILES for 5-bromo-N-(4-bromo-3,5-dimethylphenyl)pentanamide is Cc1cc(NC(=O)CCCCBr)cc(C)c1Br.
What is the InChIKey of 5-bromo-N-(4-bromo-3,5-dimethylphenyl)pentanamide?
The InChIKey is UPGDISSJRFLXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO/c1-9-7-11(8-10(2)13(9)15)16-12(17)5-3-4-6-14/h7-8H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-N-(4-bromo-3,5-dimethylphenyl)pentanamide?
5-bromo-N-(4-bromo-3,5-dimethylphenyl)pentanamide has a molecular weight of 363.09 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromo-3,5-dimethylphenyl)pentanamide is sourced from PubChem (CID 66818039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).