2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]-N-(4-fluorophenyl)acetamide

C19H19FN2O3 — CID 941057

IUPAC2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(C[C@@H]1OCCN(Cc2ccccc2)C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H19FN2O3/c20-15-6-8-16(9-7-15)21-18(23)12-17-19(24)22(10-11-25-17)13-14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H,21,23)/t17-/m0/s1
InChIKeyCNKJITHCAYFLHQ-KRWDZBQOSA-N
MW342.37 g/mol
LogP2.58
Rot. Bonds5

About 2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]-N-(4-fluorophenyl)acetamide

2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 941057) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]-N-(4-fluorophenyl)acetamide
PubChem CID941057
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(C[C@@H]1OCCN(Cc2ccccc2)C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H19FN2O3/c20-15-6-8-16(9-7-15)21-18(23)12-17-19(24)22(10-11-25-17)13-14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H,21,23)/t17-/m0/s1
InChIKeyCNKJITHCAYFLHQ-KRWDZBQOSA-N
XLogP2.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 5-[[2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 41000175
[2-oxo-2-(4-phenylphenyl)ethyl] 4-[[2-(4-benzyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate
CID 21170255
2-(4-benzyl-3-oxomorpholin-2-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 4231893
[2-(4-fluorophenyl)-2-oxoethyl] 4-[[2-[3-oxo-4-(thiophen-2-ylmethyl)morpholin-2-yl]acetyl]amino]benzoate
CID 23101022
N-(4-iodophenyl)-2-[3-oxo-4-[(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)methyl]morpholin-2-yl]acetamide
CID 53296202
2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-N-(4-chlorophenyl)acetamide
CID 7188924
2-[(3S,9aR)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-fluorophenyl)acetamide
CID 806184
2-[4-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)methyl]-3-oxomorpholin-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 53290018
phenacyl 4-[[2-(4-ethyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate
CID 22778078
4-[[2-[2-(4-carbamoylanilino)-2-oxoethyl]-3-oxomorpholin-4-yl]methyl]-3-phenyloxadiazol-3-ium-5-olate
CID 53296277
methyl 4-[[2-[4-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)methyl]-3-oxomorpholin-2-yl]acetyl]amino]benzoate
CID 53277602
2-[1-benzyl-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 2950160

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]-N-(4-fluorophenyl)acetamide (CID 941057) is 2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]-N-(4-fluorophenyl)acetamide is O=C(C[C@@H]1OCCN(Cc2ccccc2)C1=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is CNKJITHCAYFLHQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-15-6-8-16(9-7-15)21-18(23)12-17-19(24)22(10-11-25-17)13-14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H,21,23)/t17-/m0/s1.
What are the key properties of 2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]-N-(4-fluorophenyl)acetamide?
2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 342.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 941057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).