1-(5-bromo-2-ethylbenzoyl)-3-methylazetidine-3-carboxamide

C14H17BrN2O2 — CID 138023872

IUPAC1-(5-bromo-2-ethylbenzoyl)-3-methylazetidine-3-carboxamide
SMILESCCc1ccc(Br)cc1C(=O)N1CC(C)(C(N)=O)C1
InChIInChI=1S/C14H17BrN2O2/c1-3-9-4-5-10(15)6-11(9)12(18)17-7-14(2,8-17)13(16)19/h4-6H,3,7-8H2,1-2H3,(H2,16,19)
InChIKeyUZYPQXBDXUVUCA-UHFFFAOYSA-N
MW325.21 g/mol
LogP1.96
Rot. Bonds3

About 1-(5-bromo-2-ethylbenzoyl)-3-methylazetidine-3-carboxamide

1-(5-bromo-2-ethylbenzoyl)-3-methylazetidine-3-carboxamide (PubChem CID 138023872) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-(5-bromo-2-ethylbenzoyl)-3-methylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-2-ethylbenzoyl)-3-methylazetidine-3-carboxamide
PubChem CID138023872
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-(5-bromo-2-ethylbenzoyl)-3-methylazetidine-3-carboxamide
SMILESCCc1ccc(Br)cc1C(=O)N1CC(C)(C(N)=O)C1
InChIInChI=1S/C14H17BrN2O2/c1-3-9-4-5-10(15)6-11(9)12(18)17-7-14(2,8-17)13(16)19/h4-6H,3,7-8H2,1-2H3,(H2,16,19)
InChIKeyUZYPQXBDXUVUCA-UHFFFAOYSA-N
XLogP1.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-2-ethylbenzoyl)-3-methylazetidine-3-carboxamide 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

1-(4-bromo-2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxamide
CID 114082008
(2-amino-5-bromophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102744843
(5-bromo-2-fluorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743982
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone;hydrochloride
CID 120806998
(2,4-dibromophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 114018454
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-2-chlorophenyl)methanone;hydrochloride
CID 120808782
1-(3-chloro-2-fluoro-4-methylbenzoyl)-3-methylazetidine-3-carboxamide
CID 138002610
1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107730102
(5-bromo-2-fluorophenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone
CID 115276511
(2-amino-5-bromophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107223766
(4-bromo-2-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 115369585
1-[2-(4-bromo-2-methylphenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 120529334

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-ethylbenzoyl)-3-methylazetidine-3-carboxamide?
The IUPAC name of 1-(5-bromo-2-ethylbenzoyl)-3-methylazetidine-3-carboxamide (CID 138023872) is 1-(5-bromo-2-ethylbenzoyl)-3-methylazetidine-3-carboxamide.
What is the SMILES notation for 1-(5-bromo-2-ethylbenzoyl)-3-methylazetidine-3-carboxamide?
The canonical SMILES for 1-(5-bromo-2-ethylbenzoyl)-3-methylazetidine-3-carboxamide is CCc1ccc(Br)cc1C(=O)N1CC(C)(C(N)=O)C1.
What is the InChIKey of 1-(5-bromo-2-ethylbenzoyl)-3-methylazetidine-3-carboxamide?
The InChIKey is UZYPQXBDXUVUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-3-9-4-5-10(15)6-11(9)12(18)17-7-14(2,8-17)13(16)19/h4-6H,3,7-8H2,1-2H3,(H2,16,19).
What are the key properties of 1-(5-bromo-2-ethylbenzoyl)-3-methylazetidine-3-carboxamide?
1-(5-bromo-2-ethylbenzoyl)-3-methylazetidine-3-carboxamide has a molecular weight of 325.21 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-ethylbenzoyl)-3-methylazetidine-3-carboxamide is sourced from PubChem (CID 138023872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).