4-bromo-N-[3-(dimethylamino)propyl]-2-hydroxy-N-methylbenzamide

C13H19BrN2O2 — CID 55228118

IUPAC4-bromo-N-[3-(dimethylamino)propyl]-2-hydroxy-N-methylbenzamide
SMILESCN(C)CCCN(C)C(=O)c1ccc(Br)cc1O
InChIInChI=1S/C13H19BrN2O2/c1-15(2)7-4-8-16(3)13(18)11-6-5-10(14)9-12(11)17/h5-6,9,17H,4,7-8H2,1-3H3
InChIKeyAXVWRZDOQPIDDK-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.18
Rot. Bonds5

About 4-bromo-N-[3-(dimethylamino)propyl]-2-hydroxy-N-methylbenzamide

4-bromo-N-[3-(dimethylamino)propyl]-2-hydroxy-N-methylbenzamide (PubChem CID 55228118) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 4-bromo-N-[3-(dimethylamino)propyl]-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(dimethylamino)propyl]-2-hydroxy-N-methylbenzamide
PubChem CID55228118
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name4-bromo-N-[3-(dimethylamino)propyl]-2-hydroxy-N-methylbenzamide
SMILESCN(C)CCCN(C)C(=O)c1ccc(Br)cc1O
InChIInChI=1S/C13H19BrN2O2/c1-15(2)7-4-8-16(3)13(18)11-6-5-10(14)9-12(11)17/h5-6,9,17H,4,7-8H2,1-3H3
InChIKeyAXVWRZDOQPIDDK-UHFFFAOYSA-N
XLogP2.18
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[3-(dimethylamino)propyl]-N-methyl-2-sulfanylbenzamide
CID 107029984
5-bromo-N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzamide
CID 63693697
N-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide
CID 104872346
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 114372357
4-bromo-N-butyl-2-methoxy-N-methylbenzamide
CID 78987650
4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide
CID 62861367
4-bromo-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103722401
4-bromo-2-methoxy-N-(3-methoxypropyl)-N-methylbenzamide
CID 78987861
5-bromo-N-butyl-N,2-dimethylbenzamide
CID 65306915
5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide
CID 107730306
2,5-dibromo-N-[3-(dimethylamino)propyl]-N-methylthiophene-3-carboxamide
CID 103918751
2-amino-4-bromo-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112658891

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(dimethylamino)propyl]-2-hydroxy-N-methylbenzamide?
The IUPAC name of 4-bromo-N-[3-(dimethylamino)propyl]-2-hydroxy-N-methylbenzamide (CID 55228118) is 4-bromo-N-[3-(dimethylamino)propyl]-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for 4-bromo-N-[3-(dimethylamino)propyl]-2-hydroxy-N-methylbenzamide?
The canonical SMILES for 4-bromo-N-[3-(dimethylamino)propyl]-2-hydroxy-N-methylbenzamide is CN(C)CCCN(C)C(=O)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-N-[3-(dimethylamino)propyl]-2-hydroxy-N-methylbenzamide?
The InChIKey is AXVWRZDOQPIDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-15(2)7-4-8-16(3)13(18)11-6-5-10(14)9-12(11)17/h5-6,9,17H,4,7-8H2,1-3H3.
What are the key properties of 4-bromo-N-[3-(dimethylamino)propyl]-2-hydroxy-N-methylbenzamide?
4-bromo-N-[3-(dimethylamino)propyl]-2-hydroxy-N-methylbenzamide has a molecular weight of 315.21 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(dimethylamino)propyl]-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 55228118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).