4-[2-(2,6-difluorophenyl)-2-oxoethyl]morpholine-3-carboxamide

C13H14F2N2O3 — CID 83095816

IUPAC4-[2-(2,6-difluorophenyl)-2-oxoethyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1CC(=O)c1c(F)cccc1F
InChIInChI=1S/C13H14F2N2O3/c14-8-2-1-3-9(15)12(8)11(18)6-17-4-5-20-7-10(17)13(16)19/h1-3,10H,4-7H2,(H2,16,19)
InChIKeyPCVQGEZWRTXTER-UHFFFAOYSA-N
MW284.26 g/mol
LogP0.33
Rot. Bonds4

About 4-[2-(2,6-difluorophenyl)-2-oxoethyl]morpholine-3-carboxamide

4-[2-(2,6-difluorophenyl)-2-oxoethyl]morpholine-3-carboxamide (PubChem CID 83095816) has the molecular formula C13H14F2N2O3 and a molecular weight of 284.26 g/mol. Its IUPAC name is 4-[2-(2,6-difluorophenyl)-2-oxoethyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(2,6-difluorophenyl)-2-oxoethyl]morpholine-3-carboxamide
PubChem CID83095816
Molecular FormulaC13H14F2N2O3
Molecular Weight284.26 g/mol
Exact Mass284.10
IUPAC Name4-[2-(2,6-difluorophenyl)-2-oxoethyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1CC(=O)c1c(F)cccc1F
InChIInChI=1S/C13H14F2N2O3/c14-8-2-1-3-9(15)12(8)11(18)6-17-4-5-20-7-10(17)13(16)19/h1-3,10H,4-7H2,(H2,16,19)
InChIKeyPCVQGEZWRTXTER-UHFFFAOYSA-N
XLogP0.33
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-difluorophenyl)-2-oxoethyl]morpholine-3-carboxamide?
The IUPAC name of 4-[2-(2,6-difluorophenyl)-2-oxoethyl]morpholine-3-carboxamide (CID 83095816) is 4-[2-(2,6-difluorophenyl)-2-oxoethyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(2,6-difluorophenyl)-2-oxoethyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[2-(2,6-difluorophenyl)-2-oxoethyl]morpholine-3-carboxamide is NC(=O)C1COCCN1CC(=O)c1c(F)cccc1F.
What is the InChIKey of 4-[2-(2,6-difluorophenyl)-2-oxoethyl]morpholine-3-carboxamide?
The InChIKey is PCVQGEZWRTXTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O3/c14-8-2-1-3-9(15)12(8)11(18)6-17-4-5-20-7-10(17)13(16)19/h1-3,10H,4-7H2,(H2,16,19).
What are the key properties of 4-[2-(2,6-difluorophenyl)-2-oxoethyl]morpholine-3-carboxamide?
4-[2-(2,6-difluorophenyl)-2-oxoethyl]morpholine-3-carboxamide has a molecular weight of 284.26 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-difluorophenyl)-2-oxoethyl]morpholine-3-carboxamide is sourced from PubChem (CID 83095816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).