4-[2-(2-fluorophenyl)-2-oxoethyl]morpholine-3-carboxamide

C13H15FN2O3 — CID 83095350

IUPAC4-[2-(2-fluorophenyl)-2-oxoethyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1CC(=O)c1ccccc1F
InChIInChI=1S/C13H15FN2O3/c14-10-4-2-1-3-9(10)12(17)7-16-5-6-19-8-11(16)13(15)18/h1-4,11H,5-8H2,(H2,15,18)
InChIKeySCAALVZWHYLXGM-UHFFFAOYSA-N
MW266.27 g/mol
LogP0.19
Rot. Bonds4

About 4-[2-(2-fluorophenyl)-2-oxoethyl]morpholine-3-carboxamide

4-[2-(2-fluorophenyl)-2-oxoethyl]morpholine-3-carboxamide (PubChem CID 83095350) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)-2-oxoethyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)-2-oxoethyl]morpholine-3-carboxamide
PubChem CID83095350
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name4-[2-(2-fluorophenyl)-2-oxoethyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1CC(=O)c1ccccc1F
InChIInChI=1S/C13H15FN2O3/c14-10-4-2-1-3-9(10)12(17)7-16-5-6-19-8-11(16)13(15)18/h1-4,11H,5-8H2,(H2,15,18)
InChIKeySCAALVZWHYLXGM-UHFFFAOYSA-N
XLogP0.19
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)-2-oxoethyl]morpholine-3-carboxamide?
The IUPAC name of 4-[2-(2-fluorophenyl)-2-oxoethyl]morpholine-3-carboxamide (CID 83095350) is 4-[2-(2-fluorophenyl)-2-oxoethyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(2-fluorophenyl)-2-oxoethyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[2-(2-fluorophenyl)-2-oxoethyl]morpholine-3-carboxamide is NC(=O)C1COCCN1CC(=O)c1ccccc1F.
What is the InChIKey of 4-[2-(2-fluorophenyl)-2-oxoethyl]morpholine-3-carboxamide?
The InChIKey is SCAALVZWHYLXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-10-4-2-1-3-9(10)12(17)7-16-5-6-19-8-11(16)13(15)18/h1-4,11H,5-8H2,(H2,15,18).
What are the key properties of 4-[2-(2-fluorophenyl)-2-oxoethyl]morpholine-3-carboxamide?
4-[2-(2-fluorophenyl)-2-oxoethyl]morpholine-3-carboxamide has a molecular weight of 266.27 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)-2-oxoethyl]morpholine-3-carboxamide is sourced from PubChem (CID 83095350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).