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

C13H17FN2O2 — CID 831447

IUPACN-[2-(4-fluorophenyl)ethyl]morpholine-4-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C13H17FN2O2/c14-12-3-1-11(2-4-12)5-6-15-13(17)16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
InChIKeyZFOCWCXCMCCWFD-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.41
Rot. Bonds3

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

N-[2-(4-fluorophenyl)ethyl]morpholine-4-carboxamide (PubChem CID 831447) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]morpholine-4-carboxamide
PubChem CID831447
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-[2-(4-fluorophenyl)ethyl]morpholine-4-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C13H17FN2O2/c14-12-3-1-11(2-4-12)5-6-15-13(17)16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
InChIKeyZFOCWCXCMCCWFD-UHFFFAOYSA-N
XLogP1.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-fluorophenyl)ethyl]morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]morpholine-4-carboxamide (CID 831447) is N-[2-(4-fluorophenyl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]morpholine-4-carboxamide is O=C(NCCc1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]morpholine-4-carboxamide?
The InChIKey is ZFOCWCXCMCCWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-12-3-1-11(2-4-12)5-6-15-13(17)16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]morpholine-4-carboxamide?
N-[2-(4-fluorophenyl)ethyl]morpholine-4-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 831447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).