N-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide

C12H18BrN3O — CID 28586901

IUPACN-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
SMILESCN(C)CCNCC(=O)Nc1ccccc1Br
InChIInChI=1S/C12H18BrN3O/c1-16(2)8-7-14-9-12(17)15-11-6-4-3-5-10(11)13/h3-6,14H,7-9H2,1-2H3,(H,15,17)
InChIKeyKIZZZOOQTCMJCZ-UHFFFAOYSA-N
MW300.20 g/mol
LogP1.54
Rot. Bonds6

About N-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide

N-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide (PubChem CID 28586901) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
PubChem CID28586901
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC NameN-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
SMILESCN(C)CCNCC(=O)Nc1ccccc1Br
InChIInChI=1S/C12H18BrN3O/c1-16(2)8-7-14-9-12(17)15-11-6-4-3-5-10(11)13/h3-6,14H,7-9H2,1-2H3,(H,15,17)
InChIKeyKIZZZOOQTCMJCZ-UHFFFAOYSA-N
XLogP1.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 51.54
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-[3-(dimethylamino)propylamino]acetamide
CID 28583681
2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide
CID 28586883
N-(2-tert-butylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994503
N-(2-bromophenyl)-2-(2-methylsulfanylethylamino)acetamide
CID 60646717
N-(2-bromophenyl)-2-(hexylamino)acetamide
CID 60648819
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165853
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966
N-(2-bromophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
CID 102905582
2-[2-(dimethylamino)ethylamino]-N-(2,4-dimethylphenyl)acetamide
CID 108994489
N-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595976
N-(2-bromophenyl)-2-(2-cyclohexylethylamino)acetamide
CID 60921067

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide (CID 28586901) is N-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide is CN(C)CCNCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The InChIKey is KIZZZOOQTCMJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-16(2)8-7-14-9-12(17)15-11-6-4-3-5-10(11)13/h3-6,14H,7-9H2,1-2H3,(H,15,17).
What are the key properties of N-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
N-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide has a molecular weight of 300.20 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide is sourced from PubChem (CID 28586901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).