1-(3-chloro-2-fluoro-4-methylbenzoyl)-3-methylazetidine-3-carboxamide

C13H14ClFN2O2 — CID 138002610

IUPAC1-(3-chloro-2-fluoro-4-methylbenzoyl)-3-methylazetidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CC(C)(C(N)=O)C2)c(F)c1Cl
InChIInChI=1S/C13H14ClFN2O2/c1-7-3-4-8(10(15)9(7)14)11(18)17-5-13(2,6-17)12(16)19/h3-4H,5-6H2,1-2H3,(H2,16,19)
InChIKeyVZWAFCGGWUCJFF-UHFFFAOYSA-N
MW284.72 g/mol
LogP1.73
Rot. Bonds2

About 1-(3-chloro-2-fluoro-4-methylbenzoyl)-3-methylazetidine-3-carboxamide

1-(3-chloro-2-fluoro-4-methylbenzoyl)-3-methylazetidine-3-carboxamide (PubChem CID 138002610) has the molecular formula C13H14ClFN2O2 and a molecular weight of 284.72 g/mol. Its IUPAC name is 1-(3-chloro-2-fluoro-4-methylbenzoyl)-3-methylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-fluoro-4-methylbenzoyl)-3-methylazetidine-3-carboxamide
PubChem CID138002610
Molecular FormulaC13H14ClFN2O2
Molecular Weight284.72 g/mol
Exact Mass284.07
IUPAC Name1-(3-chloro-2-fluoro-4-methylbenzoyl)-3-methylazetidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CC(C)(C(N)=O)C2)c(F)c1Cl
InChIInChI=1S/C13H14ClFN2O2/c1-7-3-4-8(10(15)9(7)14)11(18)17-5-13(2,6-17)12(16)19/h3-4H,5-6H2,1-2H3,(H2,16,19)
InChIKeyVZWAFCGGWUCJFF-UHFFFAOYSA-N
XLogP1.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-2-fluoro-4-methylbenzoyl)-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

(3-amino-3-methylazetidin-1-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81479030
1-(4-bromo-2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxamide
CID 114082008
1-(5-bromo-2-ethylbenzoyl)-3-methylazetidine-3-carboxamide
CID 138023872
(2-fluoro-3-methylphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 81477658
3-methyl-1-(2,3,4-trifluorobenzoyl)piperidine-3-carboxylic acid
CID 79757244
2-chloro-1-(2-chloro-3-fluoro-4-methylphenyl)ethanone
CID 130775332
(2,6-difluoro-3-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 82816459
1-(2-chloro-3-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162439
1-(4-chloro-2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146558
(4-amino-2-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210580
(3-chloro-2,4-difluorophenyl)-thiomorpholin-4-ylmethanone
CID 164891876
(3-amino-3-methylazetidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 107673339

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluoro-4-methylbenzoyl)-3-methylazetidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-2-fluoro-4-methylbenzoyl)-3-methylazetidine-3-carboxamide (CID 138002610) is 1-(3-chloro-2-fluoro-4-methylbenzoyl)-3-methylazetidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-fluoro-4-methylbenzoyl)-3-methylazetidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-2-fluoro-4-methylbenzoyl)-3-methylazetidine-3-carboxamide is Cc1ccc(C(=O)N2CC(C)(C(N)=O)C2)c(F)c1Cl.
What is the InChIKey of 1-(3-chloro-2-fluoro-4-methylbenzoyl)-3-methylazetidine-3-carboxamide?
The InChIKey is VZWAFCGGWUCJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O2/c1-7-3-4-8(10(15)9(7)14)11(18)17-5-13(2,6-17)12(16)19/h3-4H,5-6H2,1-2H3,(H2,16,19).
What are the key properties of 1-(3-chloro-2-fluoro-4-methylbenzoyl)-3-methylazetidine-3-carboxamide?
1-(3-chloro-2-fluoro-4-methylbenzoyl)-3-methylazetidine-3-carboxamide has a molecular weight of 284.72 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluoro-4-methylbenzoyl)-3-methylazetidine-3-carboxamide is sourced from PubChem (CID 138002610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).