3-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzamide

C12H17BrN2O2 — CID 61443550

IUPAC3-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzamide
SMILESCCN(CCOC)C(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C12H17BrN2O2/c1-3-15(6-7-17-2)12(16)9-4-5-10(13)11(14)8-9/h4-5,8H,3,6-7,14H2,1-2H3
InChIKeyJBQHRLWEVSMJRV-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.14
Rot. Bonds5

About 3-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzamide

3-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzamide (PubChem CID 61443550) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 3-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzamide
PubChem CID61443550
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name3-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzamide
SMILESCCN(CCOC)C(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C12H17BrN2O2/c1-3-15(6-7-17-2)12(16)9-4-5-10(13)11(14)8-9/h4-5,8H,3,6-7,14H2,1-2H3
InChIKeyJBQHRLWEVSMJRV-UHFFFAOYSA-N
XLogP2.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)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

4-amino-N-ethyl-3-hydroxy-N-(2-methoxyethyl)benzamide
CID 107074866
3-amino-4-bromo-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 61117454
4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide
CID 112705653
N-ethyl-4-hydrazinyl-N-(2-methoxyethyl)benzamide
CID 62248057
3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63954686
3-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 55126476
4-amino-3-hydroxy-N,N-bis(2-methoxyethyl)benzamide
CID 107074165
N-ethyl-4-methoxy-N-(2-methoxyethyl)-3-sulfamoylbenzamide
CID 65386486
3-bromo-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65386871
3-amino-N-(2-ethoxyethyl)-N-ethyl-4-methoxybenzamide
CID 63697687
3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 61114914
3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide
CID 103841549

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzamide (CID 61443550) is 3-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzamide is CCN(CCOC)C(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 3-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzamide?
The InChIKey is JBQHRLWEVSMJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-3-15(6-7-17-2)12(16)9-4-5-10(13)11(14)8-9/h4-5,8H,3,6-7,14H2,1-2H3.
What are the key properties of 3-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzamide?
3-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzamide has a molecular weight of 301.18 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 61443550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).