N-[3-[benzyl(methyl)amino]propyl]-4-chlorobenzamide

C18H21ClN2O — CID 41306362

IUPACN-[3-[benzyl(methyl)amino]propyl]-4-chlorobenzamide
SMILESCN(CCCNC(=O)c1ccc(Cl)cc1)Cc1ccccc1
InChIInChI=1S/C18H21ClN2O/c1-21(14-15-6-3-2-4-7-15)13-5-12-20-18(22)16-8-10-17(19)11-9-16/h2-4,6-11H,5,12-14H2,1H3,(H,20,22)
InChIKeyTVEZSZAKGLHZOD-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.59
Rot. Bonds7

About N-[3-[benzyl(methyl)amino]propyl]-4-chlorobenzamide

N-[3-[benzyl(methyl)amino]propyl]-4-chlorobenzamide (PubChem CID 41306362) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-4-chlorobenzamide
PubChem CID41306362
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-4-chlorobenzamide
SMILESCN(CCCNC(=O)c1ccc(Cl)cc1)Cc1ccccc1
InChIInChI=1S/C18H21ClN2O/c1-21(14-15-6-3-2-4-7-15)13-5-12-20-18(22)16-8-10-17(19)11-9-16/h2-4,6-11H,5,12-14H2,1H3,(H,20,22)
InChIKeyTVEZSZAKGLHZOD-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-[benzyl(methyl)amino]propyl]-4-chlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-4-chlorobenzamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-4-chlorobenzamide (CID 41306362) is N-[3-[benzyl(methyl)amino]propyl]-4-chlorobenzamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-4-chlorobenzamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-4-chlorobenzamide is CN(CCCNC(=O)c1ccc(Cl)cc1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-4-chlorobenzamide?
The InChIKey is TVEZSZAKGLHZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-21(14-15-6-3-2-4-7-15)13-5-12-20-18(22)16-8-10-17(19)11-9-16/h2-4,6-11H,5,12-14H2,1H3,(H,20,22).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-4-chlorobenzamide?
N-[3-[benzyl(methyl)amino]propyl]-4-chlorobenzamide has a molecular weight of 316.83 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-4-chlorobenzamide is sourced from PubChem (CID 41306362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).