5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride

C11H16BrClN2O2 — CID 120829917

IUPAC5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cc(Br)ccc1O.Cl
InChIInChI=1S/C11H15BrN2O2.ClH/c1-7(13-2)6-14-11(16)9-5-8(12)3-4-10(9)15;/h3-5,7,13,15H,6H2,1-2H3,(H,14,16);1H
InChIKeySDTBMKBPAPFIPJ-UHFFFAOYSA-N
MW323.62 g/mol
LogP1.91
Rot. Bonds4

About 5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride

5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride (PubChem CID 120829917) has the molecular formula C11H16BrClN2O2 and a molecular weight of 323.62 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
PubChem CID120829917
Molecular FormulaC11H16BrClN2O2
Molecular Weight323.62 g/mol
Exact Mass322.01
IUPAC Name5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cc(Br)ccc1O.Cl
InChIInChI=1S/C11H15BrN2O2.ClH/c1-7(13-2)6-14-11(16)9-5-8(12)3-4-10(9)15;/h3-5,7,13,15H,6H2,1-2H3,(H,14,16);1H
InChIKeySDTBMKBPAPFIPJ-UHFFFAOYSA-N
XLogP1.91
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.62
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-fluoro-N-[2-(methylamino)propyl]benzamide
CID 120827060
5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide
CID 107729737
5-bromo-2-hydroxy-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111662219
5-bromo-N-(2,2-dimethoxyethyl)-2-hydroxybenzamide
CID 103602044
5-bromo-N-(2-chlorobutyl)-2-hydroxybenzamide
CID 107730482
3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide
CID 107728277
5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 120830398
6-bromo-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 120828627
5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide
CID 103711996
5-bromo-2-hydroxy-N-(6-methylheptan-2-yl)benzamide
CID 103600383
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 107729441
5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide
CID 120830399

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride (CID 120829917) is 5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride is CNC(C)CNC(=O)c1cc(Br)ccc1O.Cl.
What is the InChIKey of 5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The InChIKey is SDTBMKBPAPFIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2.ClH/c1-7(13-2)6-14-11(16)9-5-8(12)3-4-10(9)15;/h3-5,7,13,15H,6H2,1-2H3,(H,14,16);1H.
What are the key properties of 5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride?
5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride has a molecular weight of 323.62 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 120829917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).