2-(3-fluorophenyl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone

C17H17FN2O2 — CID 155983401

IUPAC2-(3-fluorophenyl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCOC(c2ccncc2)C1
InChIInChI=1S/C17H17FN2O2/c18-15-3-1-2-13(10-15)11-17(21)20-8-9-22-16(12-20)14-4-6-19-7-5-14/h1-7,10,16H,8-9,11-12H2
InChIKeyMVYJAOKXFCNYCT-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.36
Rot. Bonds3

About 2-(3-fluorophenyl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone

2-(3-fluorophenyl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone (PubChem CID 155983401) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone
PubChem CID155983401
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name2-(3-fluorophenyl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCOC(c2ccncc2)C1
InChIInChI=1S/C17H17FN2O2/c18-15-3-1-2-13(10-15)11-17(21)20-8-9-22-16(12-20)14-4-6-19-7-5-14/h1-7,10,16H,8-9,11-12H2
InChIKeyMVYJAOKXFCNYCT-UHFFFAOYSA-N
XLogP2.36
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 124968195
2-(3-fluorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81209303
1-(2-pyridin-4-ylmorpholin-4-yl)-2-thiophen-3-ylethanone
CID 110102530
2-(3-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone
CID 125024352
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110364011
1-[2-(3-chlorophenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110326972
2-(4-fluorophenyl)-1-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone
CID 129454540
3-[methyl(pyridin-3-ylmethyl)amino]-1-(2-pyridin-4-ylmorpholin-4-yl)propan-1-one
CID 110102620
3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315907
2-(4-fluorophenyl)-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethanone
CID 110327189
1-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(2-methoxy-4-pyridinyl)ethanone
CID 138035112
1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124986253

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone (CID 155983401) is 2-(3-fluorophenyl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone is O=C(Cc1cccc(F)c1)N1CCOC(c2ccncc2)C1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone?
The InChIKey is MVYJAOKXFCNYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c18-15-3-1-2-13(10-15)11-17(21)20-8-9-22-16(12-20)14-4-6-19-7-5-14/h1-7,10,16H,8-9,11-12H2.
What are the key properties of 2-(3-fluorophenyl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone?
2-(3-fluorophenyl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone has a molecular weight of 300.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone is sourced from PubChem (CID 155983401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).