N-[3-[benzyl(methyl)amino]propyl]-3-bromobenzamide

C18H21BrN2O — CID 41306385

IUPACN-[3-[benzyl(methyl)amino]propyl]-3-bromobenzamide
SMILESCN(CCCNC(=O)c1cccc(Br)c1)Cc1ccccc1
InChIInChI=1S/C18H21BrN2O/c1-21(14-15-7-3-2-4-8-15)12-6-11-20-18(22)16-9-5-10-17(19)13-16/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,20,22)
InChIKeyCYOAKAJZFCMXHY-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.70
Rot. Bonds7

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

N-[3-[benzyl(methyl)amino]propyl]-3-bromobenzamide (PubChem CID 41306385) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-3-bromobenzamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-3-bromobenzamide
PubChem CID41306385
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-3-bromobenzamide
SMILESCN(CCCNC(=O)c1cccc(Br)c1)Cc1ccccc1
InChIInChI=1S/C18H21BrN2O/c1-21(14-15-7-3-2-4-8-15)12-6-11-20-18(22)16-9-5-10-17(19)13-16/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,20,22)
InChIKeyCYOAKAJZFCMXHY-UHFFFAOYSA-N
XLogP3.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 53.70
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]-3-bromobenzamide 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]-3-bromobenzamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-3-bromobenzamide (CID 41306385) is N-[3-[benzyl(methyl)amino]propyl]-3-bromobenzamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-3-bromobenzamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-3-bromobenzamide is CN(CCCNC(=O)c1cccc(Br)c1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-3-bromobenzamide?
The InChIKey is CYOAKAJZFCMXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-21(14-15-7-3-2-4-8-15)12-6-11-20-18(22)16-9-5-10-17(19)13-16/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,20,22).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-3-bromobenzamide?
N-[3-[benzyl(methyl)amino]propyl]-3-bromobenzamide has a molecular weight of 361.28 g/mol, XLogP of 3.70, 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]-3-bromobenzamide is sourced from PubChem (CID 41306385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).