2-amino-N-(5-bromo-2-methylphenyl)hexanamide

C13H19BrN2O — CID 60854245

IUPAC2-amino-N-(5-bromo-2-methylphenyl)hexanamide
SMILESCCCCC(N)C(=O)Nc1cc(Br)ccc1C
InChIInChI=1S/C13H19BrN2O/c1-3-4-5-11(15)13(17)16-12-8-10(14)7-6-9(12)2/h6-8,11H,3-5,15H2,1-2H3,(H,16,17)
InChIKeyFTSOAOCOQUAZCZ-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.21
Rot. Bonds5

About 2-amino-N-(5-bromo-2-methylphenyl)hexanamide

2-amino-N-(5-bromo-2-methylphenyl)hexanamide (PubChem CID 60854245) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2-methylphenyl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2-methylphenyl)hexanamide
PubChem CID60854245
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-amino-N-(5-bromo-2-methylphenyl)hexanamide
SMILESCCCCC(N)C(=O)Nc1cc(Br)ccc1C
InChIInChI=1S/C13H19BrN2O/c1-3-4-5-11(15)13(17)16-12-8-10(14)7-6-9(12)2/h6-8,11H,3-5,15H2,1-2H3,(H,16,17)
InChIKeyFTSOAOCOQUAZCZ-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide
CID 103830807
2-amino-N-(5-bromo-2-methylphenyl)-4-methylsulfonylbutanamide
CID 43712537
(2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide
CID 103793966
2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide
CID 43712543
(2S)-2-amino-N-(4-bromo-2-cyanophenyl)hexanamide
CID 107146322
2-amino-N-(4-bromophenyl)hexanamide
CID 60852203
2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride
CID 119279910
(2S,3S)-2-amino-N-(5-bromo-2-methylphenyl)-3-methylpentanamide
CID 61178087
2-amino-N-(5-bromo-2-chloro-3-pyridinyl)hexanamide
CID 114052040
2-amino-N-(4-fluoro-2-methylphenyl)hexanamide
CID 54928581
2-amino-N-(5-bromo-2-methylphenyl)-3-methylbutanamide
CID 43712521
2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide
CID 76887238

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2-methylphenyl)hexanamide?
The IUPAC name of 2-amino-N-(5-bromo-2-methylphenyl)hexanamide (CID 60854245) is 2-amino-N-(5-bromo-2-methylphenyl)hexanamide.
What is the SMILES notation for 2-amino-N-(5-bromo-2-methylphenyl)hexanamide?
The canonical SMILES for 2-amino-N-(5-bromo-2-methylphenyl)hexanamide is CCCCC(N)C(=O)Nc1cc(Br)ccc1C.
What is the InChIKey of 2-amino-N-(5-bromo-2-methylphenyl)hexanamide?
The InChIKey is FTSOAOCOQUAZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-3-4-5-11(15)13(17)16-12-8-10(14)7-6-9(12)2/h6-8,11H,3-5,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-(5-bromo-2-methylphenyl)hexanamide?
2-amino-N-(5-bromo-2-methylphenyl)hexanamide has a molecular weight of 299.21 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-2-methylphenyl)hexanamide is sourced from PubChem (CID 60854245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).