3-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)propanamide

C17H17BrCl2N2O — CID 24588994

IUPAC3-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)propanamide
SMILESCN(CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(Br)cc1
InChIInChI=1S/C17H17BrCl2N2O/c1-22(11-12-5-7-13(18)8-6-12)10-9-16(23)21-17-14(19)3-2-4-15(17)20/h2-8H,9-11H2,1H3,(H,21,23)
InChIKeyIQRJNHZWXDWEPT-UHFFFAOYSA-N
MW416.15 g/mol
LogP5.22
Rot. Bonds6

About 3-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)propanamide

3-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)propanamide (PubChem CID 24588994) has the molecular formula C17H17BrCl2N2O and a molecular weight of 416.15 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)propanamide
PubChem CID24588994
Molecular FormulaC17H17BrCl2N2O
Molecular Weight416.15 g/mol
Exact Mass413.99
IUPAC Name3-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)propanamide
SMILESCN(CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(Br)cc1
InChIInChI=1S/C17H17BrCl2N2O/c1-22(11-12-5-7-13(18)8-6-12)10-9-16(23)21-17-14(19)3-2-4-15(17)20/h2-8H,9-11H2,1H3,(H,21,23)
InChIKeyIQRJNHZWXDWEPT-UHFFFAOYSA-N
XLogP5.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.15
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)propanamide 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

methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]acetate
CID 60706675
N-(2,6-dichlorophenyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 24589283
3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide;hydrochloride
CID 90483527
N-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)methyl-methylamino]propanamide
CID 24588996
2-[(4-bromophenyl)methyl-methylamino]-N-(3-chloro-2-methylphenyl)acetamide
CID 2657306
2-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9221968
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
3-[benzyl(propyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 55482442
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113120713
2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]propanoic acid
CID 62637976
2-[(4-bromophenyl)methylsulfanyl]-N-(2,6-dichlorophenyl)acetamide
CID 30666834
3-[acetyl(propan-2-yl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113115297

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of 3-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)propanamide (CID 24588994) is 3-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for 3-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)propanamide is CN(CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is IQRJNHZWXDWEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrCl2N2O/c1-22(11-12-5-7-13(18)8-6-12)10-9-16(23)21-17-14(19)3-2-4-15(17)20/h2-8H,9-11H2,1H3,(H,21,23).
What are the key properties of 3-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)propanamide?
3-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)propanamide has a molecular weight of 416.15 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 24588994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).