N-(2-bromo-5-chloro-4-methylphenyl)hexanamide

C13H17BrClNO — CID 104724053

IUPACN-(2-bromo-5-chloro-4-methylphenyl)hexanamide
SMILESCCCCCC(=O)Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C13H17BrClNO/c1-3-4-5-6-13(17)16-12-8-11(15)9(2)7-10(12)14/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyNZLQRGTUUSZEEJ-UHFFFAOYSA-N
MW318.64 g/mol
LogP4.93
Rot. Bonds5

About N-(2-bromo-5-chloro-4-methylphenyl)hexanamide

N-(2-bromo-5-chloro-4-methylphenyl)hexanamide (PubChem CID 104724053) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)hexanamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)hexanamide
PubChem CID104724053
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)hexanamide
SMILESCCCCCC(=O)Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C13H17BrClNO/c1-3-4-5-6-13(17)16-12-8-11(15)9(2)7-10(12)14/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyNZLQRGTUUSZEEJ-UHFFFAOYSA-N
XLogP4.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 54.93
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

3-(2-bromo-5-chloro-4-methylanilino)-3-oxopropanoic acid
CID 104725181
N-(2-bromo-5-methylphenyl)decanamide
CID 82757665
N-(2,4-dibromophenyl)hexanamide
CID 4251482
N-(2-bromo-5-chloro-4-methylphenyl)-2-propylpentanamide
CID 113445559
3-(2-bromo-5-chloro-4-methylphenyl)-1,1-diethylurea
CID 104724253
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)octadecanamide
CID 154397523
N-(2-bromo-5-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 104723917
N-(5-chloro-2-methyl-4-nitrophenyl)hexanamide
CID 17102172
5-(2-bromo-4,5-dimethylanilino)-5-oxopentanoic acid
CID 82036907
N-(5-chloro-2-methylphenyl)decanamide
CID 5144260
N-(3-bromo-2,4-dichlorophenyl)octanamide
CID 177295929
3-(2-bromo-5-chloro-4-methylphenyl)-1-ethyl-1-methylurea
CID 104724220

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)hexanamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)hexanamide (CID 104724053) is N-(2-bromo-5-chloro-4-methylphenyl)hexanamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)hexanamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)hexanamide is CCCCCC(=O)Nc1cc(Cl)c(C)cc1Br.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)hexanamide?
The InChIKey is NZLQRGTUUSZEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO/c1-3-4-5-6-13(17)16-12-8-11(15)9(2)7-10(12)14/h7-8H,3-6H2,1-2H3,(H,16,17).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)hexanamide?
N-(2-bromo-5-chloro-4-methylphenyl)hexanamide has a molecular weight of 318.64 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)hexanamide is sourced from PubChem (CID 104724053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).