3-(3,4-difluorophenyl)-2,2-dimethyl-5-oxomorpholine-3-carboxamide

C13H14F2N2O3 — CID 22004301

IUPAC3-(3,4-difluorophenyl)-2,2-dimethyl-5-oxomorpholine-3-carboxamide
SMILESCC1(C)OCC(=O)NC1(C(N)=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H14F2N2O3/c1-12(2)13(11(16)19,17-10(18)6-20-12)7-3-4-8(14)9(15)5-7/h3-5H,6H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyOSWQKMVBKLDROM-UHFFFAOYSA-N
MW284.26 g/mol
LogP0.57
Rot. Bonds2

About 3-(3,4-difluorophenyl)-2,2-dimethyl-5-oxomorpholine-3-carboxamide

3-(3,4-difluorophenyl)-2,2-dimethyl-5-oxomorpholine-3-carboxamide (PubChem CID 22004301) has the molecular formula C13H14F2N2O3 and a molecular weight of 284.26 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-2,2-dimethyl-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-2,2-dimethyl-5-oxomorpholine-3-carboxamide
PubChem CID22004301
Molecular FormulaC13H14F2N2O3
Molecular Weight284.26 g/mol
Exact Mass284.10
IUPAC Name3-(3,4-difluorophenyl)-2,2-dimethyl-5-oxomorpholine-3-carboxamide
SMILESCC1(C)OCC(=O)NC1(C(N)=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H14F2N2O3/c1-12(2)13(11(16)19,17-10(18)6-20-12)7-3-4-8(14)9(15)5-7/h3-5H,6H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyOSWQKMVBKLDROM-UHFFFAOYSA-N
XLogP0.57
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-2,2-dimethyl-5-oxomorpholine-3-carboxamide?
The IUPAC name of 3-(3,4-difluorophenyl)-2,2-dimethyl-5-oxomorpholine-3-carboxamide (CID 22004301) is 3-(3,4-difluorophenyl)-2,2-dimethyl-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-2,2-dimethyl-5-oxomorpholine-3-carboxamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-2,2-dimethyl-5-oxomorpholine-3-carboxamide is CC1(C)OCC(=O)NC1(C(N)=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-2,2-dimethyl-5-oxomorpholine-3-carboxamide?
The InChIKey is OSWQKMVBKLDROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O3/c1-12(2)13(11(16)19,17-10(18)6-20-12)7-3-4-8(14)9(15)5-7/h3-5H,6H2,1-2H3,(H2,16,19)(H,17,18).
What are the key properties of 3-(3,4-difluorophenyl)-2,2-dimethyl-5-oxomorpholine-3-carboxamide?
3-(3,4-difluorophenyl)-2,2-dimethyl-5-oxomorpholine-3-carboxamide has a molecular weight of 284.26 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-2,2-dimethyl-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 22004301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).