4-[3-(4-fluorophenyl)-3-oxopropyl]morpholine-3-carboxamide

C14H17FN2O3 — CID 83095438

IUPAC4-[3-(4-fluorophenyl)-3-oxopropyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3/c15-11-3-1-10(2-4-11)13(18)5-6-17-7-8-20-9-12(17)14(16)19/h1-4,12H,5-9H2,(H2,16,19)
InChIKeyQZKDXAVHFAVYBF-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.58
Rot. Bonds5

About 4-[3-(4-fluorophenyl)-3-oxopropyl]morpholine-3-carboxamide

4-[3-(4-fluorophenyl)-3-oxopropyl]morpholine-3-carboxamide (PubChem CID 83095438) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-3-oxopropyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-3-oxopropyl]morpholine-3-carboxamide
PubChem CID83095438
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name4-[3-(4-fluorophenyl)-3-oxopropyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3/c15-11-3-1-10(2-4-11)13(18)5-6-17-7-8-20-9-12(17)14(16)19/h1-4,12H,5-9H2,(H2,16,19)
InChIKeyQZKDXAVHFAVYBF-UHFFFAOYSA-N
XLogP0.58
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-[3-(4-fluorophenyl)-3-oxopropyl]morpholine-3-carboxamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-3-oxopropyl]morpholine-3-carboxamide (CID 83095438) is 4-[3-(4-fluorophenyl)-3-oxopropyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-3-oxopropyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-3-oxopropyl]morpholine-3-carboxamide is NC(=O)C1COCCN1CCC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-3-oxopropyl]morpholine-3-carboxamide?
The InChIKey is QZKDXAVHFAVYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-11-3-1-10(2-4-11)13(18)5-6-17-7-8-20-9-12(17)14(16)19/h1-4,12H,5-9H2,(H2,16,19).
What are the key properties of 4-[3-(4-fluorophenyl)-3-oxopropyl]morpholine-3-carboxamide?
4-[3-(4-fluorophenyl)-3-oxopropyl]morpholine-3-carboxamide has a molecular weight of 280.30 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-3-oxopropyl]morpholine-3-carboxamide is sourced from PubChem (CID 83095438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).