6-amino-N-(3-bromo-4-methylphenyl)hexanamide

C13H19BrN2O — CID 63334946

IUPAC6-amino-N-(3-bromo-4-methylphenyl)hexanamide
SMILESCc1ccc(NC(=O)CCCCCN)cc1Br
InChIInChI=1S/C13H19BrN2O/c1-10-6-7-11(9-12(10)14)16-13(17)5-3-2-4-8-15/h6-7,9H,2-5,8,15H2,1H3,(H,16,17)
InChIKeyJVZGNGKJDFTBBR-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.22
Rot. Bonds6

About 6-amino-N-(3-bromo-4-methylphenyl)hexanamide

6-amino-N-(3-bromo-4-methylphenyl)hexanamide (PubChem CID 63334946) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 6-amino-N-(3-bromo-4-methylphenyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(3-bromo-4-methylphenyl)hexanamide
PubChem CID63334946
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name6-amino-N-(3-bromo-4-methylphenyl)hexanamide
SMILESCc1ccc(NC(=O)CCCCCN)cc1Br
InChIInChI=1S/C13H19BrN2O/c1-10-6-7-11(9-12(10)14)16-13(17)5-3-2-4-8-15/h6-7,9H,2-5,8,15H2,1H3,(H,16,17)
InChIKeyJVZGNGKJDFTBBR-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.22
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

7-amino-N-(3-bromo-4-methylphenyl)heptanamide;hydrochloride
CID 119704606
6-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 24704997
4-amino-N-(4-bromo-3-methylphenyl)butanamide
CID 22692281
5-(7-aminoheptanoylamino)-2-methylbenzoic acid
CID 63652626
6-amino-N-(4-bromo-3-methoxyphenyl)hexanamide
CID 82867477
6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide
CID 43700728
N-(3-bromo-4-methylphenyl)-4-(propan-2-ylamino)butanamide
CID 63334817
5-amino-N-(3-bromo-4-methylphenyl)-4-methylpentanamide
CID 82688133
N-(3-bromo-4-methylphenyl)-3-methoxypropanamide
CID 55209257
7-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]heptanamide
CID 119780750
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-bromo-4-methylphenyl)hexanamide?
The IUPAC name of 6-amino-N-(3-bromo-4-methylphenyl)hexanamide (CID 63334946) is 6-amino-N-(3-bromo-4-methylphenyl)hexanamide.
What is the SMILES notation for 6-amino-N-(3-bromo-4-methylphenyl)hexanamide?
The canonical SMILES for 6-amino-N-(3-bromo-4-methylphenyl)hexanamide is Cc1ccc(NC(=O)CCCCCN)cc1Br.
What is the InChIKey of 6-amino-N-(3-bromo-4-methylphenyl)hexanamide?
The InChIKey is JVZGNGKJDFTBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-10-6-7-11(9-12(10)14)16-13(17)5-3-2-4-8-15/h6-7,9H,2-5,8,15H2,1H3,(H,16,17).
What are the key properties of 6-amino-N-(3-bromo-4-methylphenyl)hexanamide?
6-amino-N-(3-bromo-4-methylphenyl)hexanamide has a molecular weight of 299.21 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3-bromo-4-methylphenyl)hexanamide is sourced from PubChem (CID 63334946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).