N-(4-fluorophenyl)-3-morpholin-4-ylpropanamide

C13H17FN2O2 — CID 687105

IUPACN-(4-fluorophenyl)-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)Nc1ccc(F)cc1
InChIInChI=1S/C13H17FN2O2/c14-11-1-3-12(4-2-11)15-13(17)5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
InChIKeyISSFKMDXXLZBSE-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.49
Rot. Bonds4

About N-(4-fluorophenyl)-3-morpholin-4-ylpropanamide

N-(4-fluorophenyl)-3-morpholin-4-ylpropanamide (PubChem CID 687105) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-morpholin-4-ylpropanamide
PubChem CID687105
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-(4-fluorophenyl)-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)Nc1ccc(F)cc1
InChIInChI=1S/C13H17FN2O2/c14-11-1-3-12(4-2-11)15-13(17)5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
InChIKeyISSFKMDXXLZBSE-UHFFFAOYSA-N
XLogP1.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-morpholin-4-ylpropanamide?
The IUPAC name of N-(4-fluorophenyl)-3-morpholin-4-ylpropanamide (CID 687105) is N-(4-fluorophenyl)-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-morpholin-4-ylpropanamide is O=C(CCN1CCOCC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-morpholin-4-ylpropanamide?
The InChIKey is ISSFKMDXXLZBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-11-1-3-12(4-2-11)15-13(17)5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17).
What are the key properties of N-(4-fluorophenyl)-3-morpholin-4-ylpropanamide?
N-(4-fluorophenyl)-3-morpholin-4-ylpropanamide has a molecular weight of 252.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 687105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).