1-[3-[[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methyl]phenyl]ethanone

C20H22FNO2 — CID 29023713

IUPAC1-[3-[[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methyl]phenyl]ethanone
SMILESCC(=O)c1cccc(CN2CCO[C@H](Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C20H22FNO2/c1-15(23)18-4-2-3-17(11-18)13-22-9-10-24-20(14-22)12-16-5-7-19(21)8-6-16/h2-8,11,20H,9-10,12-14H2,1H3/t20-/m1/s1
InChIKeyGBDWQLJLVVHBAR-HXUWFJFHSA-N
MW327.40 g/mol
LogP3.47
Rot. Bonds5

About 1-[3-[[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methyl]phenyl]ethanone

1-[3-[[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methyl]phenyl]ethanone (PubChem CID 29023713) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-[3-[[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methyl]phenyl]ethanone
PubChem CID29023713
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name1-[3-[[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methyl]phenyl]ethanone
SMILESCC(=O)c1cccc(CN2CCO[C@H](Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C20H22FNO2/c1-15(23)18-4-2-3-17(11-18)13-22-9-10-24-20(14-22)12-16-5-7-19(21)8-6-16/h2-8,11,20H,9-10,12-14H2,1H3/t20-/m1/s1
InChIKeyGBDWQLJLVVHBAR-HXUWFJFHSA-N
XLogP3.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-benzylmorpholin-4-yl)methyl]benzoic acid
CID 122032440
1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone
CID 102604185
(2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(4-fluorophenyl)methyl]morpholine
CID 29001171
2-[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanol
CID 95563200
3-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzoic acid;dihydrochloride
CID 154906261
(2R)-N-(3-acetylphenyl)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]morpholine-4-carboxamide
CID 54011116
3-[2-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]-N-methylbenzamide
CID 10287820
2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine
CID 81213684
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
1-[3-(3,6-diazabicyclo[3.1.1]heptan-3-ylmethyl)phenyl]ethanone
CID 84793801
3-[[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methylcarbamoylamino]methyl]benzoic acid
CID 10237967
(2R)-2-[(4-fluorophenyl)methyl]-4-(1H-imidazol-2-ylmethyl)morpholine
CID 124966375

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methyl]phenyl]ethanone?
The IUPAC name of 1-[3-[[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methyl]phenyl]ethanone (CID 29023713) is 1-[3-[[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methyl]phenyl]ethanone is CC(=O)c1cccc(CN2CCO[C@H](Cc3ccc(F)cc3)C2)c1.
What is the InChIKey of 1-[3-[[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methyl]phenyl]ethanone?
The InChIKey is GBDWQLJLVVHBAR-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-15(23)18-4-2-3-17(11-18)13-22-9-10-24-20(14-22)12-16-5-7-19(21)8-6-16/h2-8,11,20H,9-10,12-14H2,1H3/t20-/m1/s1.
What are the key properties of 1-[3-[[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methyl]phenyl]ethanone?
1-[3-[[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methyl]phenyl]ethanone has a molecular weight of 327.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methyl]phenyl]ethanone is sourced from PubChem (CID 29023713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).