2-[azetidin-3-yl(ethyl)amino]-N-(4-bromophenyl)acetamide

C13H18BrN3O — CID 66183425

IUPAC2-[azetidin-3-yl(ethyl)amino]-N-(4-bromophenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(Br)cc1)C1CNC1
InChIInChI=1S/C13H18BrN3O/c1-2-17(12-7-15-8-12)9-13(18)16-11-5-3-10(14)4-6-11/h3-6,12,15H,2,7-9H2,1H3,(H,16,18)
InChIKeyCOTAWBUXPYPMLV-UHFFFAOYSA-N
MW312.21 g/mol
LogP1.68
Rot. Bonds5

About 2-[azetidin-3-yl(ethyl)amino]-N-(4-bromophenyl)acetamide

2-[azetidin-3-yl(ethyl)amino]-N-(4-bromophenyl)acetamide (PubChem CID 66183425) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-[azetidin-3-yl(ethyl)amino]-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[azetidin-3-yl(ethyl)amino]-N-(4-bromophenyl)acetamide
PubChem CID66183425
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name2-[azetidin-3-yl(ethyl)amino]-N-(4-bromophenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(Br)cc1)C1CNC1
InChIInChI=1S/C13H18BrN3O/c1-2-17(12-7-15-8-12)9-13(18)16-11-5-3-10(14)4-6-11/h3-6,12,15H,2,7-9H2,1H3,(H,16,18)
InChIKeyCOTAWBUXPYPMLV-UHFFFAOYSA-N
XLogP1.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[azetidin-3-yl(ethyl)amino]-N-(4-bromophenyl)acetamide 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

2-[azetidin-3-yl(ethyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 66182176
2-[azetidin-3-yl(ethyl)amino]-N-(3,5-difluorophenyl)acetamide
CID 66184313
2-[azetidin-3-yl(propyl)amino]-N-(4-fluorophenyl)acetamide
CID 66213900
2-[azetidin-3-yl(ethyl)amino]-N-(2-bromo-4-methylphenyl)acetamide
CID 66183880
N-(4-chlorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63638006
2-[azetidin-3-yl(ethyl)amino]-N-(2-chlorophenyl)acetamide
CID 66183463
N-(4-bromo-3-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63636963
2-[acetyl(cyclopropyl)amino]-N-(4-bromophenyl)acetamide
CID 113158424
2-[azetidin-3-yl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide
CID 66214675
2-[azetidin-3-yl(propyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 66213710
2-[azetidin-3-yl(propyl)amino]-N-(4-bromo-2-chlorophenyl)acetamide
CID 66213695
2-[azetidin-3-yl(ethyl)amino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 66181734

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(ethyl)amino]-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-[azetidin-3-yl(ethyl)amino]-N-(4-bromophenyl)acetamide (CID 66183425) is 2-[azetidin-3-yl(ethyl)amino]-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-[azetidin-3-yl(ethyl)amino]-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-[azetidin-3-yl(ethyl)amino]-N-(4-bromophenyl)acetamide is CCN(CC(=O)Nc1ccc(Br)cc1)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(ethyl)amino]-N-(4-bromophenyl)acetamide?
The InChIKey is COTAWBUXPYPMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-2-17(12-7-15-8-12)9-13(18)16-11-5-3-10(14)4-6-11/h3-6,12,15H,2,7-9H2,1H3,(H,16,18).
What are the key properties of 2-[azetidin-3-yl(ethyl)amino]-N-(4-bromophenyl)acetamide?
2-[azetidin-3-yl(ethyl)amino]-N-(4-bromophenyl)acetamide has a molecular weight of 312.21 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(ethyl)amino]-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 66183425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).