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

C19H20FNO2 — CID 67538151

IUPAC(2S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one
SMILESCC1CO[C@@H](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-IBYPIGCZSA-N
MW313.37 g/mol
LogP3.18
Rot. Bonds4

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

(2S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one (PubChem CID 67538151) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is (2S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one.

Molecular Properties

Compound Name(2S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one
PubChem CID67538151
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name(2S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one
SMILESCC1CO[C@@H](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-IBYPIGCZSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one?
The IUPAC name of (2S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one (CID 67538151) is (2S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one.
What is the SMILES notation for (2S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one?
The canonical SMILES for (2S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one is CC1CO[C@@H](Cc2ccc(F)cc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (2S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one?
The InChIKey is JZYIKMSOKQZDLC-IBYPIGCZSA-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 (2S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one?
(2S)-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 (2S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one is sourced from PubChem (CID 67538151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).