1-[(2R)-2-benzylmorpholin-4-yl]-3-(2-fluorophenyl)propan-1-one

C20H22FNO2 — CID 42462570

IUPAC1-[(2R)-2-benzylmorpholin-4-yl]-3-(2-fluorophenyl)propan-1-one
SMILESO=C(CCc1ccccc1F)N1CCO[C@H](Cc2ccccc2)C1
InChIInChI=1S/C20H22FNO2/c21-19-9-5-4-8-17(19)10-11-20(23)22-12-13-24-18(15-22)14-16-6-2-1-3-7-16/h1-9,18H,10-15H2/t18-/m1/s1
InChIKeyPDLJZZMTCRBINH-GOSISDBHSA-N
MW327.40 g/mol
LogP3.23
Rot. Bonds5

About 1-[(2R)-2-benzylmorpholin-4-yl]-3-(2-fluorophenyl)propan-1-one

1-[(2R)-2-benzylmorpholin-4-yl]-3-(2-fluorophenyl)propan-1-one (PubChem CID 42462570) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-[(2R)-2-benzylmorpholin-4-yl]-3-(2-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-benzylmorpholin-4-yl]-3-(2-fluorophenyl)propan-1-one
PubChem CID42462570
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name1-[(2R)-2-benzylmorpholin-4-yl]-3-(2-fluorophenyl)propan-1-one
SMILESO=C(CCc1ccccc1F)N1CCO[C@H](Cc2ccccc2)C1
InChIInChI=1S/C20H22FNO2/c21-19-9-5-4-8-17(19)10-11-20(23)22-12-13-24-18(15-22)14-16-6-2-1-3-7-16/h1-9,18H,10-15H2/t18-/m1/s1
InChIKeyPDLJZZMTCRBINH-GOSISDBHSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110609345
1-[(2S)-2-benzylmorpholin-4-yl]-3-thiophen-3-ylpropan-1-one
CID 25447592
3-(2-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]propan-1-one
CID 124972560
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
1-[(2R)-2-benzylmorpholin-4-yl]-2-(dimethylamino)ethanone
CID 124615413
4-[2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137030447
3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 94133767
4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid
CID 120550207
1-[(5aS,8aS)-4-methyl-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-7-yl]-3-(2-fluorophenyl)propan-1-one
CID 131688423
1-[(2R)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(2-fluorophenyl)propan-1-one
CID 125017373
1-[2-(chloromethyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 81210940
1-[(2S)-2-benzylmorpholin-4-yl]-2-pyrazol-1-ylethanone
CID 42508590

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-benzylmorpholin-4-yl]-3-(2-fluorophenyl)propan-1-one?
The IUPAC name of 1-[(2R)-2-benzylmorpholin-4-yl]-3-(2-fluorophenyl)propan-1-one (CID 42462570) is 1-[(2R)-2-benzylmorpholin-4-yl]-3-(2-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-[(2R)-2-benzylmorpholin-4-yl]-3-(2-fluorophenyl)propan-1-one?
The canonical SMILES for 1-[(2R)-2-benzylmorpholin-4-yl]-3-(2-fluorophenyl)propan-1-one is O=C(CCc1ccccc1F)N1CCO[C@H](Cc2ccccc2)C1.
What is the InChIKey of 1-[(2R)-2-benzylmorpholin-4-yl]-3-(2-fluorophenyl)propan-1-one?
The InChIKey is PDLJZZMTCRBINH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22FNO2/c21-19-9-5-4-8-17(19)10-11-20(23)22-12-13-24-18(15-22)14-16-6-2-1-3-7-16/h1-9,18H,10-15H2/t18-/m1/s1.
What are the key properties of 1-[(2R)-2-benzylmorpholin-4-yl]-3-(2-fluorophenyl)propan-1-one?
1-[(2R)-2-benzylmorpholin-4-yl]-3-(2-fluorophenyl)propan-1-one has a molecular weight of 327.40 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-benzylmorpholin-4-yl]-3-(2-fluorophenyl)propan-1-one is sourced from PubChem (CID 42462570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).