4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]morpholine-3-carboxamide

C14H17FN2O3 — CID 83095347

IUPAC4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]morpholine-3-carboxamide
SMILESCC(C(=O)c1ccc(F)cc1)N1CCOCC1C(N)=O
InChIInChI=1S/C14H17FN2O3/c1-9(13(18)10-2-4-11(15)5-3-10)17-6-7-20-8-12(17)14(16)19/h2-5,9,12H,6-8H2,1H3,(H2,16,19)
InChIKeyDPWCWJSLEQGBAN-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.58
Rot. Bonds4

About 4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]morpholine-3-carboxamide

4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]morpholine-3-carboxamide (PubChem CID 83095347) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]morpholine-3-carboxamide
PubChem CID83095347
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]morpholine-3-carboxamide
SMILESCC(C(=O)c1ccc(F)cc1)N1CCOCC1C(N)=O
InChIInChI=1S/C14H17FN2O3/c1-9(13(18)10-2-4-11(15)5-3-10)17-6-7-20-8-12(17)14(16)19/h2-5,9,12H,6-8H2,1H3,(H2,16,19)
InChIKeyDPWCWJSLEQGBAN-UHFFFAOYSA-N
XLogP0.58
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]morpholine-3-carboxamide?
The IUPAC name of 4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]morpholine-3-carboxamide (CID 83095347) is 4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]morpholine-3-carboxamide?
The canonical SMILES for 4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]morpholine-3-carboxamide is CC(C(=O)c1ccc(F)cc1)N1CCOCC1C(N)=O.
What is the InChIKey of 4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]morpholine-3-carboxamide?
The InChIKey is DPWCWJSLEQGBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-9(13(18)10-2-4-11(15)5-3-10)17-6-7-20-8-12(17)14(16)19/h2-5,9,12H,6-8H2,1H3,(H2,16,19).
What are the key properties of 4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]morpholine-3-carboxamide?
4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]morpholine-3-carboxamide has a molecular weight of 280.30 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]morpholine-3-carboxamide is sourced from PubChem (CID 83095347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).