2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide

C16H19FN2O4 — CID 72920676

IUPAC2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)CN1C(=O)OC(C)(C)C1=O
InChIInChI=1S/C16H19FN2O4/c1-10(11-5-7-12(17)8-6-11)18(4)13(20)9-19-14(21)16(2,3)23-15(19)22/h5-8,10H,9H2,1-4H3
InChIKeyJPKRQUKYUNDEOK-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.10
Rot. Bonds4

About 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide

2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide (PubChem CID 72920676) has the molecular formula C16H19FN2O4 and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
PubChem CID72920676
Molecular FormulaC16H19FN2O4
Molecular Weight322.34 g/mol
Exact Mass322.13
IUPAC Name2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)CN1C(=O)OC(C)(C)C1=O
InChIInChI=1S/C16H19FN2O4/c1-10(11-5-7-12(17)8-6-11)18(4)13(20)9-19-14(21)16(2,3)23-15(19)22/h5-8,10H,9H2,1-4H3
InChIKeyJPKRQUKYUNDEOK-UHFFFAOYSA-N
XLogP2.10
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 46665930
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 46647711
N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 134054177
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 55469146
N-[1-(3,4-difluorophenyl)ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 134024782
N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51951419
2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 56815151
2-[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]sulfanylacetic acid
CID 113219837
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide
CID 94510114
2-(1-aminocyclobutyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 79854166
2-(1,4-diazepan-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 62839206
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 134041775

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide (CID 72920676) is 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide is CC(c1ccc(F)cc1)N(C)C(=O)CN1C(=O)OC(C)(C)C1=O.
What is the InChIKey of 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The InChIKey is JPKRQUKYUNDEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O4/c1-10(11-5-7-12(17)8-6-11)18(4)13(20)9-19-14(21)16(2,3)23-15(19)22/h5-8,10H,9H2,1-4H3.
What are the key properties of 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide has a molecular weight of 322.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 72920676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).