6-amino-N-(2-bromo-4-chlorophenyl)hexanamide

C12H16BrClN2O — CID 81263613

IUPAC6-amino-N-(2-bromo-4-chlorophenyl)hexanamide
SMILESNCCCCCC(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C12H16BrClN2O/c13-10-8-9(14)5-6-11(10)16-12(17)4-2-1-3-7-15/h5-6,8H,1-4,7,15H2,(H,16,17)
InChIKeyQIIGKHQXOUGUOF-UHFFFAOYSA-N
MW319.63 g/mol
LogP3.56
Rot. Bonds6

About 6-amino-N-(2-bromo-4-chlorophenyl)hexanamide

6-amino-N-(2-bromo-4-chlorophenyl)hexanamide (PubChem CID 81263613) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is 6-amino-N-(2-bromo-4-chlorophenyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(2-bromo-4-chlorophenyl)hexanamide
PubChem CID81263613
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC Name6-amino-N-(2-bromo-4-chlorophenyl)hexanamide
SMILESNCCCCCC(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C12H16BrClN2O/c13-10-8-9(14)5-6-11(10)16-12(17)4-2-1-3-7-15/h5-6,8H,1-4,7,15H2,(H,16,17)
InChIKeyQIIGKHQXOUGUOF-UHFFFAOYSA-N
XLogP3.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4-chlorophenyl)-4-chlorobutanamide
CID 81263840
6-amino-N-(2,5-dichlorophenyl)hexanamide
CID 24694210
N-(2-bromo-4-chlorophenyl)-3-chloropropanamide
CID 81264246
5-amino-N-(2,6-dibromo-4-chlorophenyl)pentanamide
CID 114209129
6-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)hexanamide
CID 43704625
7-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)heptanamide
CID 43710336
7-amino-N-[5-chloro-2-(dimethylamino)phenyl]heptanamide;dihydrochloride
CID 119858077
N-(4-chloro-2-hydroxyphenyl)-N'-hydroxyoctanediamide
CID 85469449
5-amino-N-(2-bromo-3-chlorophenyl)pentanamide
CID 103479361
(2-bromo-4-chlorophenyl)urea
CID 81003362
N-(2-acetamido-5-chlorophenyl)-4-aminobutanamide;hydrochloride
CID 119308230
5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide
CID 113441065

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-bromo-4-chlorophenyl)hexanamide?
The IUPAC name of 6-amino-N-(2-bromo-4-chlorophenyl)hexanamide (CID 81263613) is 6-amino-N-(2-bromo-4-chlorophenyl)hexanamide.
What is the SMILES notation for 6-amino-N-(2-bromo-4-chlorophenyl)hexanamide?
The canonical SMILES for 6-amino-N-(2-bromo-4-chlorophenyl)hexanamide is NCCCCCC(=O)Nc1ccc(Cl)cc1Br.
What is the InChIKey of 6-amino-N-(2-bromo-4-chlorophenyl)hexanamide?
The InChIKey is QIIGKHQXOUGUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O/c13-10-8-9(14)5-6-11(10)16-12(17)4-2-1-3-7-15/h5-6,8H,1-4,7,15H2,(H,16,17).
What are the key properties of 6-amino-N-(2-bromo-4-chlorophenyl)hexanamide?
6-amino-N-(2-bromo-4-chlorophenyl)hexanamide has a molecular weight of 319.63 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-bromo-4-chlorophenyl)hexanamide is sourced from PubChem (CID 81263613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).