5-bromo-N-[3-(dimethylamino)propyl]-2-hydroxybenzamide

C12H17BrN2O2 — CID 547207

IUPAC5-bromo-N-[3-(dimethylamino)propyl]-2-hydroxybenzamide
SMILESCN(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)
InChIKeySKKNGENANNQMRG-UHFFFAOYSA-N
MW301.18 g/mol
LogP1.84
Rot. Bonds5

About 5-bromo-N-[3-(dimethylamino)propyl]-2-hydroxybenzamide

5-bromo-N-[3-(dimethylamino)propyl]-2-hydroxybenzamide (PubChem CID 547207) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 5-bromo-N-[3-(dimethylamino)propyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[3-(dimethylamino)propyl]-2-hydroxybenzamide
PubChem CID547207
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name5-bromo-N-[3-(dimethylamino)propyl]-2-hydroxybenzamide
SMILESCN(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)
InChIKeySKKNGENANNQMRG-UHFFFAOYSA-N
XLogP1.84
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-((1R)-1-(4-bromophenyl)ethyl)-5-fluoro-2-hydroxybenzamide
CID 5496910
Edasalonexent
CID 44626120
Benzamide, N,N'-1,6-hexanediylbis(2-hydroxy-
CID 209651
N-Methylsalicylamide
CID 74624
5-Bromosalicylamide
CID 72876
5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide
CID 5323852
5-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 14762912
Diethylsalicylamide
CID 88006
N-Cyclohexyl-2-hydroxybenzene-1-carboximidic acid
CID 114223
Brosotamide
CID 38706
N,N'-1,3-Propanediylbis(2-hydroxybenzamide)
CID 212503
N-Propylsalicylamide
CID 81966

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(dimethylamino)propyl]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[3-(dimethylamino)propyl]-2-hydroxybenzamide (CID 547207) is 5-bromo-N-[3-(dimethylamino)propyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[3-(dimethylamino)propyl]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[3-(dimethylamino)propyl]-2-hydroxybenzamide is CN(C)CCCNC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-[3-(dimethylamino)propyl]-2-hydroxybenzamide?
The InChIKey is SKKNGENANNQMRG-UHFFFAOYSA-N. 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).
What are the key properties of 5-bromo-N-[3-(dimethylamino)propyl]-2-hydroxybenzamide?
5-bromo-N-[3-(dimethylamino)propyl]-2-hydroxybenzamide has a molecular weight of 301.18 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(dimethylamino)propyl]-2-hydroxybenzamide is sourced from PubChem (CID 547207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).