3-[(5-bromo-2-hydroxybenzoyl)amino]propyl-dimethylazanium

C12H18BrN2O2+ — CID 7188682

IUPAC3-[(5-bromo-2-hydroxybenzoyl)amino]propyl-dimethylazanium
SMILESC[NH+](C)CCCNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C12H17BrN2O2/c1-15(2)7-3-6-14-12(17)10-8-9(13)4-5-11(10)16/h4-5,8,16H,3,6-7H2,1-2H3,(H,14,17)/p+1
InChIKeySKKNGENANNQMRG-UHFFFAOYSA-O
MW302.19 g/mol
LogP0.42
Rot. Bonds5

About 3-[(5-bromo-2-hydroxybenzoyl)amino]propyl-dimethylazanium

3-[(5-bromo-2-hydroxybenzoyl)amino]propyl-dimethylazanium (PubChem CID 7188682) has the molecular formula C12H18BrN2O2+ and a molecular weight of 302.19 g/mol. Its IUPAC name is 3-[(5-bromo-2-hydroxybenzoyl)amino]propyl-dimethylazanium.

Molecular Properties

Compound Name3-[(5-bromo-2-hydroxybenzoyl)amino]propyl-dimethylazanium
PubChem CID7188682
Molecular FormulaC12H18BrN2O2+
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name3-[(5-bromo-2-hydroxybenzoyl)amino]propyl-dimethylazanium
SMILESC[NH+](C)CCCNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C12H17BrN2O2/c1-15(2)7-3-6-14-12(17)10-8-9(13)4-5-11(10)16/h4-5,8,16H,3,6-7H2,1-2H3,(H,14,17)/p+1
InChIKeySKKNGENANNQMRG-UHFFFAOYSA-O
XLogP0.42
TPSA53.77 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-5-bromo-2-hydroxybenzamide
CID 104872204
5-bromo-N-(4-chlorobutyl)-2-hydroxybenzamide
CID 107730547
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 107729441
5-bromo-2-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 103719384
5-bromo-N-but-2-ynyl-2-hydroxybenzamide
CID 103871171
5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829917
3-[[4-[3-(dimethylazaniumyl)propylcarbamoyl]benzoyl]amino]propyl-dimethylazanium
CID 2164611
5-bromo-2-hydroxy-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111662219
5-bromo-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 103877758
5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide
CID 107729737
5-bromo-N-(2,2-dimethoxyethyl)-2-hydroxybenzamide
CID 103602044
5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 27163181

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-hydroxybenzoyl)amino]propyl-dimethylazanium?
The IUPAC name of 3-[(5-bromo-2-hydroxybenzoyl)amino]propyl-dimethylazanium (CID 7188682) is 3-[(5-bromo-2-hydroxybenzoyl)amino]propyl-dimethylazanium.
What is the SMILES notation for 3-[(5-bromo-2-hydroxybenzoyl)amino]propyl-dimethylazanium?
The canonical SMILES for 3-[(5-bromo-2-hydroxybenzoyl)amino]propyl-dimethylazanium is C[NH+](C)CCCNC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 3-[(5-bromo-2-hydroxybenzoyl)amino]propyl-dimethylazanium?
The InChIKey is SKKNGENANNQMRG-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H17BrN2O2/c1-15(2)7-3-6-14-12(17)10-8-9(13)4-5-11(10)16/h4-5,8,16H,3,6-7H2,1-2H3,(H,14,17)/p+1.
What are the key properties of 3-[(5-bromo-2-hydroxybenzoyl)amino]propyl-dimethylazanium?
3-[(5-bromo-2-hydroxybenzoyl)amino]propyl-dimethylazanium has a molecular weight of 302.19 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-hydroxybenzoyl)amino]propyl-dimethylazanium is sourced from PubChem (CID 7188682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).