(5S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one

C19H20FNO2 — CID 70861716

IUPAC(5S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one
SMILESC[C@H]1COC(Cc2ccc(F)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H20FNO2/c1-14-13-23-18(11-15-7-9-17(20)10-8-15)19(22)21(14)12-16-5-3-2-4-6-16/h2-10,14,18H,11-13H2,1H3/t14-,18?/m0/s1
InChIKeyJZYIKMSOKQZDLC-PIVQAISJSA-N
MW313.37 g/mol
LogP3.18
Rot. Bonds4

About (5S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one

(5S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one (PubChem CID 70861716) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is (5S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one.

Molecular Properties

Compound Name(5S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one
PubChem CID70861716
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name(5S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one
SMILESC[C@H]1COC(Cc2ccc(F)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H20FNO2/c1-14-13-23-18(11-15-7-9-17(20)10-8-15)19(22)21(14)12-16-5-3-2-4-6-16/h2-10,14,18H,11-13H2,1H3/t14-,18?/m0/s1
InChIKeyJZYIKMSOKQZDLC-PIVQAISJSA-N
XLogP3.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[Benzyl(tert-butyl)amino]-2-oxoethyl] cyclohexanecarboxylate
CID 4333683
N-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851908
[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] cyclohexanecarboxylate
CID 2368876
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 5192579
US10927128, Example 69
CID 135374765
2,2-Dimethyl-1-(3-phenylmorpholin-4-yl)propan-1-one
CID 110728326
1-Benzyl-2-(4-methylphenyl)-4-oxo-3-azetidinyl acetate
CID 4231036
(Z)-2-[[(2R,3S)-3-methoxy-2-(4-methylphenyl)-4-oxoazetidin-1-yl]methyl]-3-phenylprop-2-enenitrile
CID 134138827
(Z)-2-[[(2R,3S)-2-(4-fluorophenyl)-3-methoxy-4-oxoazetidin-1-yl]methyl]-3-phenylprop-2-enenitrile
CID 134140894
(3S,4R)-1-Acetyl-3-methoxy-4-phenyl-azetidin-2-one
CID 44319641
US10927128, Example 99
CID 135374962
2,4-Dibenzyl-morpholin-3-one
CID 10468932

Frequently Asked Questions

What is the IUPAC name of (5S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one?
The IUPAC name of (5S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one (CID 70861716) is (5S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one.
What is the SMILES notation for (5S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one?
The canonical SMILES for (5S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one is C[C@H]1COC(Cc2ccc(F)cc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (5S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one?
The InChIKey is JZYIKMSOKQZDLC-PIVQAISJSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-14-13-23-18(11-15-7-9-17(20)10-8-15)19(22)21(14)12-16-5-3-2-4-6-16/h2-10,14,18H,11-13H2,1H3/t14-,18?/m0/s1.
What are the key properties of (5S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one?
(5S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one has a molecular weight of 313.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one is sourced from PubChem (CID 70861716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).