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

C21H23FN2O3 — CID 110367863

IUPACN-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
SMILESCc1ccc(N2CC(CNC(=O)Cc3ccc(F)cc3)OCC2=O)cc1C
InChIInChI=1S/C21H23FN2O3/c1-14-3-8-18(9-15(14)2)24-12-19(27-13-21(24)26)11-23-20(25)10-16-4-6-17(22)7-5-16/h3-9,19H,10-13H2,1-2H3,(H,23,25)
InChIKeyRZZNTLFFSNKQNZ-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.53
Rot. Bonds5

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

N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide (PubChem CID 110367863) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
PubChem CID110367863
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC NameN-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
SMILESCc1ccc(N2CC(CNC(=O)Cc3ccc(F)cc3)OCC2=O)cc1C
InChIInChI=1S/C21H23FN2O3/c1-14-3-8-18(9-15(14)2)24-12-19(27-13-21(24)26)11-23-20(25)10-16-4-6-17(22)7-5-16/h3-9,19H,10-13H2,1-2H3,(H,23,25)
InChIKeyRZZNTLFFSNKQNZ-UHFFFAOYSA-N
XLogP2.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide
CID 110367849
2-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]acetamide
CID 110710097
4-chloro-N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367877
2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]acetamide
CID 110367489
N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 110367352
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3,4-dimethoxybenzamide
CID 110367860
N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367297
2-(4-ethoxyphenyl)-N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]acetamide
CID 110367721
N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]pyridine-4-carboxamide
CID 110367334
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]butanamide
CID 110367688
ethyl N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]carbamate
CID 110367743
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide
CID 110367703

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide (CID 110367863) is N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide is Cc1ccc(N2CC(CNC(=O)Cc3ccc(F)cc3)OCC2=O)cc1C.
What is the InChIKey of N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is RZZNTLFFSNKQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-14-3-8-18(9-15(14)2)24-12-19(27-13-21(24)26)11-23-20(25)10-16-4-6-17(22)7-5-16/h3-9,19H,10-13H2,1-2H3,(H,23,25).
What are the key properties of N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide?
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 370.42 g/mol, XLogP of 2.53, 5 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-(4-fluorophenyl)acetamide is sourced from PubChem (CID 110367863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).