3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride

C17H20Cl2N2O — CID 2901537

IUPAC3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride
SMILESCN(CCC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1.Cl
InChIInChI=1S/C17H19ClN2O.ClH/c1-20(13-14-5-3-2-4-6-14)12-11-17(21)19-16-9-7-15(18)8-10-16;/h2-10H,11-13H2,1H3,(H,19,21);1H
InChIKeyVCECOBWIVAPLHP-UHFFFAOYSA-N
MW339.27 g/mol
LogP4.22
Rot. Bonds6

About 3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride

3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride (PubChem CID 2901537) has the molecular formula C17H20Cl2N2O and a molecular weight of 339.27 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride
PubChem CID2901537
Molecular FormulaC17H20Cl2N2O
Molecular Weight339.27 g/mol
Exact Mass338.10
IUPAC Name3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride
SMILESCN(CCC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1.Cl
InChIInChI=1S/C17H19ClN2O.ClH/c1-20(13-14-5-3-2-4-6-14)12-11-17(21)19-16-9-7-15(18)8-10-16;/h2-10H,11-13H2,1H3,(H,19,21);1H
InChIKeyVCECOBWIVAPLHP-UHFFFAOYSA-N
XLogP4.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide;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

Lorcainide
CID 42884
2-Chlorofentanyl
CID 12741858
Lorcainide Hydrochloride
CID 6917855
Para-chloroisobutyryl fentanyl
CID 100974915
N-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 883553
1-[3-(3-Chloro-2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 883576
3-Piperidin-1-yl-N-m-tolyl-propionamide
CID 2901408
N-(4-Chloro-2-methyl-phenyl)-2-pyrrolidin-1-yl-acetamide
CID 6493742
2-Propenamide, N-(4-chlorophenyl)-3-phenyl-
CID 766168
N-benzyl-N'-(4-chlorophenyl)-N-methylurea
CID 730303
N-(4-chloro-2-methylphenyl)-2-methylpropanamide
CID 885868
4'-Chloro fentanyl
CID 527011

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride?
The IUPAC name of 3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride (CID 2901537) is 3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride?
The canonical SMILES for 3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride is CN(CCC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1.Cl.
What is the InChIKey of 3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride?
The InChIKey is VCECOBWIVAPLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O.ClH/c1-20(13-14-5-3-2-4-6-14)12-11-17(21)19-16-9-7-15(18)8-10-16;/h2-10H,11-13H2,1H3,(H,19,21);1H.
What are the key properties of 3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride?
3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride has a molecular weight of 339.27 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride is sourced from PubChem (CID 2901537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).