2-(azetidin-3-yl)-N-(5-bromo-2-cyanophenyl)acetamide

C12H12BrN3O — CID 107798290

IUPAC2-(azetidin-3-yl)-N-(5-bromo-2-cyanophenyl)acetamide
SMILESN#Cc1ccc(Br)cc1NC(=O)CC1CNC1
InChIInChI=1S/C12H12BrN3O/c13-10-2-1-9(5-14)11(4-10)16-12(17)3-8-6-15-7-8/h1-2,4,8,15H,3,6-7H2,(H,16,17)
InChIKeyMKPGUIPEYPYUJT-UHFFFAOYSA-N
MW294.15 g/mol
LogP1.87
Rot. Bonds3

About 2-(azetidin-3-yl)-N-(5-bromo-2-cyanophenyl)acetamide

2-(azetidin-3-yl)-N-(5-bromo-2-cyanophenyl)acetamide (PubChem CID 107798290) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(5-bromo-2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(5-bromo-2-cyanophenyl)acetamide
PubChem CID107798290
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name2-(azetidin-3-yl)-N-(5-bromo-2-cyanophenyl)acetamide
SMILESN#Cc1ccc(Br)cc1NC(=O)CC1CNC1
InChIInChI=1S/C12H12BrN3O/c13-10-2-1-9(5-14)11(4-10)16-12(17)3-8-6-15-7-8/h1-2,4,8,15H,3,6-7H2,(H,16,17)
InChIKeyMKPGUIPEYPYUJT-UHFFFAOYSA-N
XLogP1.87
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(azetidin-3-yl)-N-(5-bromo-2-cyanophenyl)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)-N-(5-chloro-2-cyanophenyl)acetamide
CID 64616779
N-(5-bromo-2-cyanophenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103278055
2-(azetidin-3-yl)-N-(2-cyano-4-fluorophenyl)acetamide
CID 82015908
N-(5-bromo-2-cyanophenyl)propanamide
CID 104880130
N-(5-bromo-2-cyanophenyl)-2-(oxolan-2-yl)acetamide
CID 104880211
N-(5-bromo-2-cyanophenyl)-2-(oxan-2-yl)acetamide
CID 104880413
N-(5-bromo-2-cyanophenyl)-2-(4-fluorophenyl)acetamide
CID 104880239
N-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide
CID 104880341
2-[1-(aminomethyl)cyclobutyl]-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798155
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
1-[2-(5-bromo-2-cyanoanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 107797184
2-(azetidin-3-yl)-N-(2-bromo-5-methylphenyl)acetamide
CID 82756641

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(5-bromo-2-cyanophenyl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(5-bromo-2-cyanophenyl)acetamide (CID 107798290) is 2-(azetidin-3-yl)-N-(5-bromo-2-cyanophenyl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(5-bromo-2-cyanophenyl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(5-bromo-2-cyanophenyl)acetamide is N#Cc1ccc(Br)cc1NC(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(5-bromo-2-cyanophenyl)acetamide?
The InChIKey is MKPGUIPEYPYUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-10-2-1-9(5-14)11(4-10)16-12(17)3-8-6-15-7-8/h1-2,4,8,15H,3,6-7H2,(H,16,17).
What are the key properties of 2-(azetidin-3-yl)-N-(5-bromo-2-cyanophenyl)acetamide?
2-(azetidin-3-yl)-N-(5-bromo-2-cyanophenyl)acetamide has a molecular weight of 294.15 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(5-bromo-2-cyanophenyl)acetamide is sourced from PubChem (CID 107798290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).