N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide

C20H21FN2O3 — CID 110367849

IUPACN-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide
SMILESCc1ccc(N2CC(CNC(=O)c3ccccc3F)OCC2=O)cc1C
InChIInChI=1S/C20H21FN2O3/c1-13-7-8-15(9-14(13)2)23-11-16(26-12-19(23)24)10-22-20(25)17-5-3-4-6-18(17)21/h3-9,16H,10-12H2,1-2H3,(H,22,25)
InChIKeyJXZPASYYMUZUMD-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.60
Rot. Bonds4

About N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide

N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide (PubChem CID 110367849) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide
PubChem CID110367849
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC NameN-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide
SMILESCc1ccc(N2CC(CNC(=O)c3ccccc3F)OCC2=O)cc1C
InChIInChI=1S/C20H21FN2O3/c1-13-7-8-15(9-14(13)2)23-11-16(26-12-19(23)24)10-22-20(25)17-5-3-4-6-18(17)21/h3-9,16H,10-12H2,1-2H3,(H,22,25)
InChIKeyJXZPASYYMUZUMD-UHFFFAOYSA-N
XLogP2.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide 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

N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide
CID 110367477
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-fluorobenzamide
CID 110328016
4-chloro-N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367877
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 110367863
2-methyl-N-[[4-(3-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367084
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-methylbenzamide
CID 110367930
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3,4-dimethoxybenzamide
CID 110367860
2-methoxy-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367630
2-chloro-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide
CID 110366991
2-chloro-N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-6-fluorobenzamide
CID 110367504
2-fluoro-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327764
N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367297

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide?
The IUPAC name of N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide (CID 110367849) is N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide?
The canonical SMILES for N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide is Cc1ccc(N2CC(CNC(=O)c3ccccc3F)OCC2=O)cc1C.
What is the InChIKey of N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide?
The InChIKey is JXZPASYYMUZUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-13-7-8-15(9-14(13)2)23-11-16(26-12-19(23)24)10-22-20(25)17-5-3-4-6-18(17)21/h3-9,16H,10-12H2,1-2H3,(H,22,25).
What are the key properties of N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide?
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide has a molecular weight of 356.40 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 110367849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).