4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxamide

C13H17FN2O2 — CID 49450852

IUPAC4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxamide
SMILESCC(c1ccccc1F)N1CCOC(C(N)=O)C1
InChIInChI=1S/C13H17FN2O2/c1-9(10-4-2-3-5-11(10)14)16-6-7-18-12(8-16)13(15)17/h2-5,9,12H,6-8H2,1H3,(H2,15,17)
InChIKeySZYPAQXPUXVBCV-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.07
Rot. Bonds3

About 4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxamide

4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxamide (PubChem CID 49450852) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxamide
PubChem CID49450852
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxamide
SMILESCC(c1ccccc1F)N1CCOC(C(N)=O)C1
InChIInChI=1S/C13H17FN2O2/c1-9(10-4-2-3-5-11(10)14)16-6-7-18-12(8-16)13(15)17/h2-5,9,12H,6-8H2,1H3,(H2,15,17)
InChIKeySZYPAQXPUXVBCV-UHFFFAOYSA-N
XLogP1.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxamide?
The IUPAC name of 4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxamide (CID 49450852) is 4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxamide?
The canonical SMILES for 4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxamide is CC(c1ccccc1F)N1CCOC(C(N)=O)C1.
What is the InChIKey of 4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxamide?
The InChIKey is SZYPAQXPUXVBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-9(10-4-2-3-5-11(10)14)16-6-7-18-12(8-16)13(15)17/h2-5,9,12H,6-8H2,1H3,(H2,15,17).
What are the key properties of 4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxamide?
4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 49450852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).