2-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide

C13H20BrN3O2 — CID 79722870

IUPAC2-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
SMILESCOCCN(C)CCNC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C13H20BrN3O2/c1-17(7-8-19-2)6-5-16-13(18)11-4-3-10(14)9-12(11)15/h3-4,9H,5-8,15H2,1-2H3,(H,16,18)
InChIKeyQWNJDNRBPRPQTA-UHFFFAOYSA-N
MW330.23 g/mol
LogP1.34
Rot. Bonds7

About 2-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide

2-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide (PubChem CID 79722870) has the molecular formula C13H20BrN3O2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 2-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
PubChem CID79722870
Molecular FormulaC13H20BrN3O2
Molecular Weight330.23 g/mol
Exact Mass329.07
IUPAC Name2-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
SMILESCOCCN(C)CCNC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C13H20BrN3O2/c1-17(7-8-19-2)6-5-16-13(18)11-4-3-10(14)9-12(11)15/h3-4,9H,5-8,15H2,1-2H3,(H,16,18)
InChIKeyQWNJDNRBPRPQTA-UHFFFAOYSA-N
XLogP1.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide 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-(dimethylamino)ethyl]benzamide;hydrochloride
CID 120994241
3-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 55126476
4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methylpyridine-3-carboxamide
CID 81239862
4-bromo-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 65342624
2-hydrazinyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylbenzamide
CID 62848709
2-amino-4-bromo-N-cyclopropyl-N-(2-methoxyethyl)benzamide
CID 79720140
2-amino-4-bromo-N-(3-methylbutyl)benzamide
CID 79714251
2-amino-4-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide
CID 79719377
4-amino-3-methoxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 104782871
4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 62844638
3-amino-4-(dimethylamino)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 62842877
2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide?
The IUPAC name of 2-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide (CID 79722870) is 2-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide?
The canonical SMILES for 2-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide is COCCN(C)CCNC(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide?
The InChIKey is QWNJDNRBPRPQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2/c1-17(7-8-19-2)6-5-16-13(18)11-4-3-10(14)9-12(11)15/h3-4,9H,5-8,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide?
2-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide has a molecular weight of 330.23 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide is sourced from PubChem (CID 79722870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).