N-(2-bromo-5-methylphenyl)decanamide

C17H26BrNO — CID 82757665

IUPACN-(2-bromo-5-methylphenyl)decanamide
SMILESCCCCCCCCCC(=O)Nc1cc(C)ccc1Br
InChIInChI=1S/C17H26BrNO/c1-3-4-5-6-7-8-9-10-17(20)19-16-13-14(2)11-12-15(16)18/h11-13H,3-10H2,1-2H3,(H,19,20)
InChIKeyFGENLPRBSYYELW-UHFFFAOYSA-N
MW340.31 g/mol
LogP5.84
Rot. Bonds9

About N-(2-bromo-5-methylphenyl)decanamide

N-(2-bromo-5-methylphenyl)decanamide (PubChem CID 82757665) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)decanamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)decanamide
PubChem CID82757665
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC NameN-(2-bromo-5-methylphenyl)decanamide
SMILESCCCCCCCCCC(=O)Nc1cc(C)ccc1Br
InChIInChI=1S/C17H26BrNO/c1-3-4-5-6-7-8-9-10-17(20)19-16-13-14(2)11-12-15(16)18/h11-13H,3-10H2,1-2H3,(H,19,20)
InChIKeyFGENLPRBSYYELW-UHFFFAOYSA-N
XLogP5.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.31
LogP ≤ 55.84
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

4-amino-N-(2-bromo-5-methylphenyl)butanamide
CID 82757472
N-(2-amino-5-methylphenyl)heptanamide
CID 114752035
N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54792025
N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048
3-(2-bromo-5-methylanilino)-3-oxopropanoic acid
CID 82758877
N-(4-bromo-2-methylphenyl)octanamide
CID 4582485
[2-(hexanoylamino)-4-methylphenyl] hexanoate
CID 175062728
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]octanamide
CID 82746747
N-(2,4-dibromophenyl)hexanamide
CID 4251482
N-(2-bromo-5-methoxyphenyl)pentanamide
CID 62416800
N-(2-bromo-5-chloro-4-methylphenyl)hexanamide
CID 104724053
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]heptanamide
CID 114753360

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)decanamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)decanamide (CID 82757665) is N-(2-bromo-5-methylphenyl)decanamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)decanamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)decanamide is CCCCCCCCCC(=O)Nc1cc(C)ccc1Br.
What is the InChIKey of N-(2-bromo-5-methylphenyl)decanamide?
The InChIKey is FGENLPRBSYYELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-3-4-5-6-7-8-9-10-17(20)19-16-13-14(2)11-12-15(16)18/h11-13H,3-10H2,1-2H3,(H,19,20).
What are the key properties of N-(2-bromo-5-methylphenyl)decanamide?
N-(2-bromo-5-methylphenyl)decanamide has a molecular weight of 340.31 g/mol, XLogP of 5.84, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)decanamide is sourced from PubChem (CID 82757665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).