3-bromo-N-[2-(ethylamino)ethyl]-4-methylbenzamide;hydrochloride

C12H18BrClN2O — CID 119508624

IUPAC3-bromo-N-[2-(ethylamino)ethyl]-4-methylbenzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(C)c(Br)c1.Cl
InChIInChI=1S/C12H17BrN2O.ClH/c1-3-14-6-7-15-12(16)10-5-4-9(2)11(13)8-10;/h4-5,8,14H,3,6-7H2,1-2H3,(H,15,16);1H
InChIKeyGNUVEPFDJYSFQH-UHFFFAOYSA-N
MW321.65 g/mol
LogP2.52
Rot. Bonds5

About 3-bromo-N-[2-(ethylamino)ethyl]-4-methylbenzamide;hydrochloride

3-bromo-N-[2-(ethylamino)ethyl]-4-methylbenzamide;hydrochloride (PubChem CID 119508624) has the molecular formula C12H18BrClN2O and a molecular weight of 321.65 g/mol. Its IUPAC name is 3-bromo-N-[2-(ethylamino)ethyl]-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-bromo-N-[2-(ethylamino)ethyl]-4-methylbenzamide;hydrochloride
PubChem CID119508624
Molecular FormulaC12H18BrClN2O
Molecular Weight321.65 g/mol
Exact Mass320.03
IUPAC Name3-bromo-N-[2-(ethylamino)ethyl]-4-methylbenzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(C)c(Br)c1.Cl
InChIInChI=1S/C12H17BrN2O.ClH/c1-3-14-6-7-15-12(16)10-5-4-9(2)11(13)8-10;/h4-5,8,14H,3,6-7H2,1-2H3,(H,15,16);1H
InChIKeyGNUVEPFDJYSFQH-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.65
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 81476107
N-(4-amino-4-oxobutyl)-3-bromo-4-methylbenzamide
CID 79466852
3-bromo-4-methyl-N-(2-sulfamoylethyl)benzamide
CID 71982585
3-bromo-N-(5-hydroxypentyl)-4-methylbenzamide
CID 107317891
N-[2-(ethylamino)ethyl]-3,5-dimethylbenzamide;hydrochloride
CID 119506515
5-bromo-N-[2-(ethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119508914
N-(3-aminobutyl)-3-bromo-4-methylbenzamide
CID 81476590
3-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylbenzamide
CID 79466673
2-[(3-bromo-4-methylbenzoyl)amino]ethyl carbamate
CID 83203375
4-N-[2-(ethylamino)ethyl]benzene-1,4-dicarboxamide;hydrochloride
CID 119508553
3-bromo-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzamide
CID 81471797
3-bromo-4-methyl-N-(3-methylsulfonylpropyl)benzamide
CID 79466574

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(ethylamino)ethyl]-4-methylbenzamide;hydrochloride?
The IUPAC name of 3-bromo-N-[2-(ethylamino)ethyl]-4-methylbenzamide;hydrochloride (CID 119508624) is 3-bromo-N-[2-(ethylamino)ethyl]-4-methylbenzamide;hydrochloride.
What is the SMILES notation for 3-bromo-N-[2-(ethylamino)ethyl]-4-methylbenzamide;hydrochloride?
The canonical SMILES for 3-bromo-N-[2-(ethylamino)ethyl]-4-methylbenzamide;hydrochloride is CCNCCNC(=O)c1ccc(C)c(Br)c1.Cl.
What is the InChIKey of 3-bromo-N-[2-(ethylamino)ethyl]-4-methylbenzamide;hydrochloride?
The InChIKey is GNUVEPFDJYSFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O.ClH/c1-3-14-6-7-15-12(16)10-5-4-9(2)11(13)8-10;/h4-5,8,14H,3,6-7H2,1-2H3,(H,15,16);1H.
What are the key properties of 3-bromo-N-[2-(ethylamino)ethyl]-4-methylbenzamide;hydrochloride?
3-bromo-N-[2-(ethylamino)ethyl]-4-methylbenzamide;hydrochloride has a molecular weight of 321.65 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(ethylamino)ethyl]-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 119508624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).