2-bromo-N-(3-morpholin-4-ylpropyl)benzamide

C14H19BrN2O2 — CID 567936

IUPAC2-bromo-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccccc1Br
InChIInChI=1S/C14H19BrN2O2/c15-13-5-2-1-4-12(13)14(18)16-6-3-7-17-8-10-19-11-9-17/h1-2,4-5H,3,6-11H2,(H,16,18)
InChIKeyJTBMRHXMLJVKQM-UHFFFAOYSA-N
MW327.22 g/mol
LogP1.90
Rot. Bonds5

About 2-bromo-N-(3-morpholin-4-ylpropyl)benzamide

2-bromo-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 567936) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-bromo-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID567936
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-bromo-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccccc1Br
InChIInChI=1S/C14H19BrN2O2/c15-13-5-2-1-4-12(13)14(18)16-6-3-7-17-8-10-19-11-9-17/h1-2,4-5H,3,6-11H2,(H,16,18)
InChIKeyJTBMRHXMLJVKQM-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(3-morpholin-4-ylpropyl)benzamide 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 2-bromo-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2-bromo-N-(3-morpholin-4-ylpropyl)benzamide (CID 567936) is 2-bromo-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2-bromo-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2-bromo-N-(3-morpholin-4-ylpropyl)benzamide is O=C(NCCCN1CCOCC1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is JTBMRHXMLJVKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-13-5-2-1-4-12(13)14(18)16-6-3-7-17-8-10-19-11-9-17/h1-2,4-5H,3,6-11H2,(H,16,18).
What are the key properties of 2-bromo-N-(3-morpholin-4-ylpropyl)benzamide?
2-bromo-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 327.22 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 567936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).