1-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(2-methoxy-4-pyridinyl)ethanone

C18H18F2N2O3 — CID 138035112

IUPAC1-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(2-methoxy-4-pyridinyl)ethanone
SMILESCOc1cc(CC(=O)N2CCOC(c3ccc(F)cc3F)C2)ccn1
InChIInChI=1S/C18H18F2N2O3/c1-24-17-8-12(4-5-21-17)9-18(23)22-6-7-25-16(11-22)14-3-2-13(19)10-15(14)20/h2-5,8,10,16H,6-7,9,11H2,1H3
InChIKeyLNWLPUMVEQCUNQ-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.51
Rot. Bonds4

About 1-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(2-methoxy-4-pyridinyl)ethanone

1-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(2-methoxy-4-pyridinyl)ethanone (PubChem CID 138035112) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(2-methoxy-4-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(2-methoxy-4-pyridinyl)ethanone
PubChem CID138035112
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name1-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(2-methoxy-4-pyridinyl)ethanone
SMILESCOc1cc(CC(=O)N2CCOC(c3ccc(F)cc3F)C2)ccn1
InChIInChI=1S/C18H18F2N2O3/c1-24-17-8-12(4-5-21-17)9-18(23)22-6-7-25-16(11-22)14-3-2-13(19)10-15(14)20/h2-5,8,10,16H,6-7,9,11H2,1H3
InChIKeyLNWLPUMVEQCUNQ-UHFFFAOYSA-N
XLogP2.51
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone
CID 155983401
2-(3-fluorophenyl)-1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 124968195
2-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide
CID 87036072
2-(4-fluorophenyl)-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethanone
CID 110327189
[(2R)-2-(2,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 124618941
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110609346
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110364011
2-(4-fluorophenyl)-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 110112932
[(2R)-2-(2,4-difluorophenyl)morpholin-4-yl]-(3-hydroxyphenyl)methanone
CID 124618947
[(2S)-2-(2,4-difluorophenyl)morpholin-4-yl]-(3-hydroxyphenyl)methanone
CID 124618948
2-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663780
2-(4-fluorophenoxy)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663787

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(2-methoxy-4-pyridinyl)ethanone?
The IUPAC name of 1-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(2-methoxy-4-pyridinyl)ethanone (CID 138035112) is 1-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(2-methoxy-4-pyridinyl)ethanone.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(2-methoxy-4-pyridinyl)ethanone?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(2-methoxy-4-pyridinyl)ethanone is COc1cc(CC(=O)N2CCOC(c3ccc(F)cc3F)C2)ccn1.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(2-methoxy-4-pyridinyl)ethanone?
The InChIKey is LNWLPUMVEQCUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-24-17-8-12(4-5-21-17)9-18(23)22-6-7-25-16(11-22)14-3-2-13(19)10-15(14)20/h2-5,8,10,16H,6-7,9,11H2,1H3.
What are the key properties of 1-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(2-methoxy-4-pyridinyl)ethanone?
1-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(2-methoxy-4-pyridinyl)ethanone has a molecular weight of 348.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(2-methoxy-4-pyridinyl)ethanone is sourced from PubChem (CID 138035112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).