N-(2-bromophenyl)-2-[3-(dimethylamino)propylamino]acetamide

C13H20BrN3O — CID 28583681

IUPACN-(2-bromophenyl)-2-[3-(dimethylamino)propylamino]acetamide
SMILESCN(C)CCCNCC(=O)Nc1ccccc1Br
InChIInChI=1S/C13H20BrN3O/c1-17(2)9-5-8-15-10-13(18)16-12-7-4-3-6-11(12)14/h3-4,6-7,15H,5,8-10H2,1-2H3,(H,16,18)
InChIKeyAGQHKFZVIVFLRG-UHFFFAOYSA-N
MW314.23 g/mol
LogP1.93
Rot. Bonds7

About N-(2-bromophenyl)-2-[3-(dimethylamino)propylamino]acetamide

N-(2-bromophenyl)-2-[3-(dimethylamino)propylamino]acetamide (PubChem CID 28583681) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[3-(dimethylamino)propylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[3-(dimethylamino)propylamino]acetamide
PubChem CID28583681
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC NameN-(2-bromophenyl)-2-[3-(dimethylamino)propylamino]acetamide
SMILESCN(C)CCCNCC(=O)Nc1ccccc1Br
InChIInChI=1S/C13H20BrN3O/c1-17(2)9-5-8-15-10-13(18)16-12-7-4-3-6-11(12)14/h3-4,6-7,15H,5,8-10H2,1-2H3,(H,16,18)
InChIKeyAGQHKFZVIVFLRG-UHFFFAOYSA-N
XLogP1.93
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 51.93
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-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 28586901
N-(2-bromophenyl)-2-(hexylamino)acetamide
CID 60648819
N-(2-bromophenyl)-2-(2-methylsulfanylethylamino)acetamide
CID 60646717
2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 3229652
N-(2-bromophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150212
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide
CID 28586883
N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 43405018
N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165853
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966
N-(2-tert-butylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994503
N-(2-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109154344

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[3-(dimethylamino)propylamino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[3-(dimethylamino)propylamino]acetamide (CID 28583681) is N-(2-bromophenyl)-2-[3-(dimethylamino)propylamino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[3-(dimethylamino)propylamino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[3-(dimethylamino)propylamino]acetamide is CN(C)CCCNCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[3-(dimethylamino)propylamino]acetamide?
The InChIKey is AGQHKFZVIVFLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-17(2)9-5-8-15-10-13(18)16-12-7-4-3-6-11(12)14/h3-4,6-7,15H,5,8-10H2,1-2H3,(H,16,18).
What are the key properties of N-(2-bromophenyl)-2-[3-(dimethylamino)propylamino]acetamide?
N-(2-bromophenyl)-2-[3-(dimethylamino)propylamino]acetamide has a molecular weight of 314.23 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[3-(dimethylamino)propylamino]acetamide is sourced from PubChem (CID 28583681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).