2-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride

C11H17BrClN3O — CID 120994241

IUPAC2-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
SMILESCN(C)CCNC(=O)c1ccc(Br)cc1N.Cl
InChIInChI=1S/C11H16BrN3O.ClH/c1-15(2)6-5-14-11(16)9-4-3-8(12)7-10(9)13;/h3-4,7H,5-6,13H2,1-2H3,(H,14,16);1H
InChIKeyUIMUOPZDPJDOCQ-UHFFFAOYSA-N
MW322.63 g/mol
LogP1.74
Rot. Bonds4

About 2-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride

2-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride (PubChem CID 120994241) has the molecular formula C11H17BrClN3O and a molecular weight of 322.63 g/mol. Its IUPAC name is 2-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
PubChem CID120994241
Molecular FormulaC11H17BrClN3O
Molecular Weight322.63 g/mol
Exact Mass321.02
IUPAC Name2-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
SMILESCN(C)CCNC(=O)c1ccc(Br)cc1N.Cl
InChIInChI=1S/C11H16BrN3O.ClH/c1-15(2)6-5-14-11(16)9-4-3-8(12)7-10(9)13;/h3-4,7H,5-6,13H2,1-2H3,(H,14,16);1H
InChIKeyUIMUOPZDPJDOCQ-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.63
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 79722870
2-amino-4-bromo-N-(3-methylbutyl)benzamide
CID 79714251
2-amino-4-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide
CID 79719377
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide;4-bromo-2-fluorobenzoic acid
CID 68845235
3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
CID 61209338
2-amino-4-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 79714359
2-amino-4-bromo-N,N-dimethylbenzamide
CID 79714600
4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide
CID 164662948
3-amino-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 110849614
2-amino-4-bromo-N-(3-phenylpropyl)benzamide
CID 79720097
2-amino-4-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 79713946
2-amino-4-bromo-N-(2-piperidin-1-ylethyl)benzamide
CID 79723555

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride?
The IUPAC name of 2-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride (CID 120994241) is 2-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 2-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride?
The canonical SMILES for 2-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride is CN(C)CCNC(=O)c1ccc(Br)cc1N.Cl.
What is the InChIKey of 2-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride?
The InChIKey is UIMUOPZDPJDOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O.ClH/c1-15(2)6-5-14-11(16)9-4-3-8(12)7-10(9)13;/h3-4,7H,5-6,13H2,1-2H3,(H,14,16);1H.
What are the key properties of 2-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride?
2-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride has a molecular weight of 322.63 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 120994241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).