5-[3-[2-(3,5-difluoro-2-pyridinyl)-2-oxoethyl]phenyl]-5-methylmorpholin-3-one

C18H16F2N2O3 — CID 58155341

IUPAC5-[3-[2-(3,5-difluoro-2-pyridinyl)-2-oxoethyl]phenyl]-5-methylmorpholin-3-one
SMILESCC1(c2cccc(CC(=O)c3ncc(F)cc3F)c2)COCC(=O)N1
InChIInChI=1S/C18H16F2N2O3/c1-18(10-25-9-16(24)22-18)12-4-2-3-11(5-12)6-15(23)17-14(20)7-13(19)8-21-17/h2-5,7-8H,6,9-10H2,1H3,(H,22,24)
InChIKeyHHUWOLYZCIAELQ-UHFFFAOYSA-N
MW346.33 g/mol
LogP2.15
Rot. Bonds4

About 5-[3-[2-(3,5-difluoro-2-pyridinyl)-2-oxoethyl]phenyl]-5-methylmorpholin-3-one

5-[3-[2-(3,5-difluoro-2-pyridinyl)-2-oxoethyl]phenyl]-5-methylmorpholin-3-one (PubChem CID 58155341) has the molecular formula C18H16F2N2O3 and a molecular weight of 346.33 g/mol. Its IUPAC name is 5-[3-[2-(3,5-difluoro-2-pyridinyl)-2-oxoethyl]phenyl]-5-methylmorpholin-3-one.

Molecular Properties

Compound Name5-[3-[2-(3,5-difluoro-2-pyridinyl)-2-oxoethyl]phenyl]-5-methylmorpholin-3-one
PubChem CID58155341
Molecular FormulaC18H16F2N2O3
Molecular Weight346.33 g/mol
Exact Mass346.11
IUPAC Name5-[3-[2-(3,5-difluoro-2-pyridinyl)-2-oxoethyl]phenyl]-5-methylmorpholin-3-one
SMILESCC1(c2cccc(CC(=O)c3ncc(F)cc3F)c2)COCC(=O)N1
InChIInChI=1S/C18H16F2N2O3/c1-18(10-25-9-16(24)22-18)12-4-2-3-11(5-12)6-15(23)17-14(20)7-13(19)8-21-17/h2-5,7-8H,6,9-10H2,1H3,(H,22,24)
InChIKeyHHUWOLYZCIAELQ-UHFFFAOYSA-N
XLogP2.15
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-[2-(3,5-difluoro-2-pyridinyl)-2-oxoethyl]phenyl]-5-methylmorpholin-3-one with MolForge

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Related Compounds

2-[3-[(5R)-3-amino-6,6-difluoro-5-methyl-2,7-dihydro-1,4-oxazepin-5-yl]-4-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)ethanone;formic acid
CID 158794109
N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-3,5-difluoropyridine-2-carboxamide
CID 50991953
2-[3-[2-amino-4-(4-fluorophenyl)-5H-1,3-thiazol-4-yl]phenyl]-1-(3,5-dichloro-2-pyridinyl)ethanone
CID 58377104
2-amino-6-[3-[2-(3,5-dimethyl-2-pyridinyl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58449206
2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(5-butyl-2-pyridinyl)ethanone
CID 58155297
2-[3-[(5R)-3-amino-6,6-difluoro-5-methyl-2,7-dihydro-1,4-oxazepin-5-yl]-4-fluorophenyl]-1-(3-fluoro-2-pyridinyl)ethanone
CID 58563096
1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanone
CID 58367441
2-[(4aS,11bR)-2-amino-3,11b-dimethyl-4,4-dioxo-5,6-dihydro-4aH-[1]benzoxepino[5,4-e][1,2,4]thiadiazin-10-yl]-1-(3,5-difluoro-2-pyridinyl)ethanone
CID 157476956
4-[3-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 105458788
2-[3-[(5R)-3-amino-6-fluoro-5,6-dimethyl-2,7-dihydro-1,4-oxazepin-5-yl]-4-fluorophenyl]-1-(5-ethyl-1,3-oxazol-4-yl)ethanone
CID 58563162
2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(5-chlorothiophen-2-yl)ethanone
CID 58155275
6-[2-[3-[(4S)-2-amino-6-(fluoromethyl)-4-methyl-1,3-oxazin-4-yl]phenyl]acetyl]-5-cyclopropylpyridine-3-carbonitrile
CID 159294961

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(3,5-difluoro-2-pyridinyl)-2-oxoethyl]phenyl]-5-methylmorpholin-3-one?
The IUPAC name of 5-[3-[2-(3,5-difluoro-2-pyridinyl)-2-oxoethyl]phenyl]-5-methylmorpholin-3-one (CID 58155341) is 5-[3-[2-(3,5-difluoro-2-pyridinyl)-2-oxoethyl]phenyl]-5-methylmorpholin-3-one.
What is the SMILES notation for 5-[3-[2-(3,5-difluoro-2-pyridinyl)-2-oxoethyl]phenyl]-5-methylmorpholin-3-one?
The canonical SMILES for 5-[3-[2-(3,5-difluoro-2-pyridinyl)-2-oxoethyl]phenyl]-5-methylmorpholin-3-one is CC1(c2cccc(CC(=O)c3ncc(F)cc3F)c2)COCC(=O)N1.
What is the InChIKey of 5-[3-[2-(3,5-difluoro-2-pyridinyl)-2-oxoethyl]phenyl]-5-methylmorpholin-3-one?
The InChIKey is HHUWOLYZCIAELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O3/c1-18(10-25-9-16(24)22-18)12-4-2-3-11(5-12)6-15(23)17-14(20)7-13(19)8-21-17/h2-5,7-8H,6,9-10H2,1H3,(H,22,24).
What are the key properties of 5-[3-[2-(3,5-difluoro-2-pyridinyl)-2-oxoethyl]phenyl]-5-methylmorpholin-3-one?
5-[3-[2-(3,5-difluoro-2-pyridinyl)-2-oxoethyl]phenyl]-5-methylmorpholin-3-one has a molecular weight of 346.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(3,5-difluoro-2-pyridinyl)-2-oxoethyl]phenyl]-5-methylmorpholin-3-one is sourced from PubChem (CID 58155341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).