N-[5-bromo-2-(4-bromophenyl)phenyl]decanamide

C22H27Br2NO — CID 46193338

IUPACN-[5-bromo-2-(4-bromophenyl)phenyl]decanamide
SMILESCCCCCCCCCC(=O)Nc1cc(Br)ccc1-c1ccc(Br)cc1
InChIInChI=1S/C22H27Br2NO/c1-2-3-4-5-6-7-8-9-22(26)25-21-16-19(24)14-15-20(21)17-10-12-18(23)13-11-17/h10-16H,2-9H2,1H3,(H,25,26)
InChIKeyWLDXVHRWWSTTKB-UHFFFAOYSA-N
MW481.27 g/mol
LogP7.96
Rot. Bonds10

About N-[5-bromo-2-(4-bromophenyl)phenyl]decanamide

N-[5-bromo-2-(4-bromophenyl)phenyl]decanamide (PubChem CID 46193338) has the molecular formula C22H27Br2NO and a molecular weight of 481.27 g/mol. Its IUPAC name is N-[5-bromo-2-(4-bromophenyl)phenyl]decanamide.

Molecular Properties

Compound NameN-[5-bromo-2-(4-bromophenyl)phenyl]decanamide
PubChem CID46193338
Molecular FormulaC22H27Br2NO
Molecular Weight481.27 g/mol
Exact Mass479.05
IUPAC NameN-[5-bromo-2-(4-bromophenyl)phenyl]decanamide
SMILESCCCCCCCCCC(=O)Nc1cc(Br)ccc1-c1ccc(Br)cc1
InChIInChI=1S/C22H27Br2NO/c1-2-3-4-5-6-7-8-9-22(26)25-21-16-19(24)14-15-20(21)17-10-12-18(23)13-11-17/h10-16H,2-9H2,1H3,(H,25,26)
InChIKeyWLDXVHRWWSTTKB-UHFFFAOYSA-N
XLogP7.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.27
LogP ≤ 57.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-methylphenyl)octanamide
CID 4582485
N-(2,4-dibromophenyl)hexanamide
CID 4251482
N-(5-bromo-2-methoxyphenyl)octanamide
CID 60540438
N-(2-amino-4-bromophenyl)nonanamide
CID 65449103
N-(4-bromo-2-oxamoylphenyl)octanamide
CID 102529539
N-[4-[4-(heptanoylamino)-3-methylphenyl]-2-methylphenyl]heptanamide
CID 4180295
N-(3-bromophenyl)heptanamide
CID 4596383
N-(5-bromo-2-fluorophenyl)butanamide
CID 63938679
N-(2-bromo-5-methylphenyl)decanamide
CID 82757665
1-[5-bromo-2-(4-bromo-2-undecanoylphenyl)phenyl]undecan-1-one
CID 69436336
N-(5-bromo-2-methylphenyl)butanamide
CID 43806329
N-(5-bromo-2-chlorophenyl)-5-hydroxypentanamide
CID 79198656

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(4-bromophenyl)phenyl]decanamide?
The IUPAC name of N-[5-bromo-2-(4-bromophenyl)phenyl]decanamide (CID 46193338) is N-[5-bromo-2-(4-bromophenyl)phenyl]decanamide.
What is the SMILES notation for N-[5-bromo-2-(4-bromophenyl)phenyl]decanamide?
The canonical SMILES for N-[5-bromo-2-(4-bromophenyl)phenyl]decanamide is CCCCCCCCCC(=O)Nc1cc(Br)ccc1-c1ccc(Br)cc1.
What is the InChIKey of N-[5-bromo-2-(4-bromophenyl)phenyl]decanamide?
The InChIKey is WLDXVHRWWSTTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Br2NO/c1-2-3-4-5-6-7-8-9-22(26)25-21-16-19(24)14-15-20(21)17-10-12-18(23)13-11-17/h10-16H,2-9H2,1H3,(H,25,26).
What are the key properties of N-[5-bromo-2-(4-bromophenyl)phenyl]decanamide?
N-[5-bromo-2-(4-bromophenyl)phenyl]decanamide has a molecular weight of 481.27 g/mol, XLogP of 7.96, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(4-bromophenyl)phenyl]decanamide is sourced from PubChem (CID 46193338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).