N-[3-(2-fluorophenyl)propyl]-2-morpholin-3-ylacetamide

C15H21FN2O2 — CID 74235164

IUPACN-[3-(2-fluorophenyl)propyl]-2-morpholin-3-ylacetamide
SMILESO=C(CC1COCCN1)NCCCc1ccccc1F
InChIInChI=1S/C15H21FN2O2/c16-14-6-2-1-4-12(14)5-3-7-18-15(19)10-13-11-20-9-8-17-13/h1-2,4,6,13,17H,3,5,7-11H2,(H,18,19)
InChIKeyFYSQBHVETDZPMT-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.25
Rot. Bonds6

About N-[3-(2-fluorophenyl)propyl]-2-morpholin-3-ylacetamide

N-[3-(2-fluorophenyl)propyl]-2-morpholin-3-ylacetamide (PubChem CID 74235164) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)propyl]-2-morpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)propyl]-2-morpholin-3-ylacetamide
PubChem CID74235164
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[3-(2-fluorophenyl)propyl]-2-morpholin-3-ylacetamide
SMILESO=C(CC1COCCN1)NCCCc1ccccc1F
InChIInChI=1S/C15H21FN2O2/c16-14-6-2-1-4-12(14)5-3-7-18-15(19)10-13-11-20-9-8-17-13/h1-2,4,6,13,17H,3,5,7-11H2,(H,18,19)
InChIKeyFYSQBHVETDZPMT-UHFFFAOYSA-N
XLogP1.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenyl)propyl]-2-morpholin-3-ylacetamide?
The IUPAC name of N-[3-(2-fluorophenyl)propyl]-2-morpholin-3-ylacetamide (CID 74235164) is N-[3-(2-fluorophenyl)propyl]-2-morpholin-3-ylacetamide.
What is the SMILES notation for N-[3-(2-fluorophenyl)propyl]-2-morpholin-3-ylacetamide?
The canonical SMILES for N-[3-(2-fluorophenyl)propyl]-2-morpholin-3-ylacetamide is O=C(CC1COCCN1)NCCCc1ccccc1F.
What is the InChIKey of N-[3-(2-fluorophenyl)propyl]-2-morpholin-3-ylacetamide?
The InChIKey is FYSQBHVETDZPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c16-14-6-2-1-4-12(14)5-3-7-18-15(19)10-13-11-20-9-8-17-13/h1-2,4,6,13,17H,3,5,7-11H2,(H,18,19).
What are the key properties of N-[3-(2-fluorophenyl)propyl]-2-morpholin-3-ylacetamide?
N-[3-(2-fluorophenyl)propyl]-2-morpholin-3-ylacetamide has a molecular weight of 280.34 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)propyl]-2-morpholin-3-ylacetamide is sourced from PubChem (CID 74235164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).