4-[2-(2-bromo-4-chlorophenoxy)ethylamino]-N,N-dimethylbenzamide

C17H18BrClN2O2 — CID 46666741

IUPAC4-[2-(2-bromo-4-chlorophenoxy)ethylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NCCOc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C17H18BrClN2O2/c1-21(2)17(22)12-3-6-14(7-4-12)20-9-10-23-16-8-5-13(19)11-15(16)18/h3-8,11,20H,9-10H2,1-2H3
InChIKeyBBCUIMNQORVXTK-UHFFFAOYSA-N
MW397.70 g/mol
LogP4.30
Rot. Bonds6

About 4-[2-(2-bromo-4-chlorophenoxy)ethylamino]-N,N-dimethylbenzamide

4-[2-(2-bromo-4-chlorophenoxy)ethylamino]-N,N-dimethylbenzamide (PubChem CID 46666741) has the molecular formula C17H18BrClN2O2 and a molecular weight of 397.70 g/mol. Its IUPAC name is 4-[2-(2-bromo-4-chlorophenoxy)ethylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[2-(2-bromo-4-chlorophenoxy)ethylamino]-N,N-dimethylbenzamide
PubChem CID46666741
Molecular FormulaC17H18BrClN2O2
Molecular Weight397.70 g/mol
Exact Mass396.02
IUPAC Name4-[2-(2-bromo-4-chlorophenoxy)ethylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NCCOc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C17H18BrClN2O2/c1-21(2)17(22)12-3-6-14(7-4-12)20-9-10-23-16-8-5-13(19)11-15(16)18/h3-8,11,20H,9-10H2,1-2H3
InChIKeyBBCUIMNQORVXTK-UHFFFAOYSA-N
XLogP4.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.70
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-(2-bromo-4-chlorophenoxy)ethylamino]-N,N-dimethylbenzamide 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-[(2-bromo-4-chlorophenoxy)methyl]-N,N-dimethylbenzamide
CID 134014692
methyl 3-(2-bromo-4-chlorophenoxy)propanoate
CID 43089216
N-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]acetamide
CID 17430448
4-[[[N-[3-(2,4-dichlorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide
CID 111875321
N-[2-(2-bromophenoxy)ethyl]-4-chloroaniline
CID 63505941
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 8807752
4-[[[N-[3-(2,4-dichlorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111875320
ethyl 3-(2-bromo-4-chlorophenoxy)propanoate
CID 43365233
2-[3-(2-bromo-4-chlorophenoxy)propanoyl-methylamino]acetic acid
CID 119346356
3-bromo-4-butoxy-N-(3-chloro-4-fluorophenyl)benzamide
CID 4955807
3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 17231899
4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 8807740

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-bromo-4-chlorophenoxy)ethylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[2-(2-bromo-4-chlorophenoxy)ethylamino]-N,N-dimethylbenzamide (CID 46666741) is 4-[2-(2-bromo-4-chlorophenoxy)ethylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[2-(2-bromo-4-chlorophenoxy)ethylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[2-(2-bromo-4-chlorophenoxy)ethylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NCCOc2ccc(Cl)cc2Br)cc1.
What is the InChIKey of 4-[2-(2-bromo-4-chlorophenoxy)ethylamino]-N,N-dimethylbenzamide?
The InChIKey is BBCUIMNQORVXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2O2/c1-21(2)17(22)12-3-6-14(7-4-12)20-9-10-23-16-8-5-13(19)11-15(16)18/h3-8,11,20H,9-10H2,1-2H3.
What are the key properties of 4-[2-(2-bromo-4-chlorophenoxy)ethylamino]-N,N-dimethylbenzamide?
4-[2-(2-bromo-4-chlorophenoxy)ethylamino]-N,N-dimethylbenzamide has a molecular weight of 397.70 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bromo-4-chlorophenoxy)ethylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 46666741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).