3-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide

C20H23FN2O2 — CID 16892525

IUPAC3-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
SMILESO=C(NCCCN1CCOC(c2ccccc2)C1)c1cccc(F)c1
InChIInChI=1S/C20H23FN2O2/c21-18-9-4-8-17(14-18)20(24)22-10-5-11-23-12-13-25-19(15-23)16-6-2-1-3-7-16/h1-4,6-9,14,19H,5,10-13,15H2,(H,22,24)
InChIKeyPJDYFIVVVNZXEW-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.02
Rot. Bonds6

About 3-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide

3-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide (PubChem CID 16892525) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
PubChem CID16892525
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name3-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
SMILESO=C(NCCCN1CCOC(c2ccccc2)C1)c1cccc(F)c1
InChIInChI=1S/C20H23FN2O2/c21-18-9-4-8-17(14-18)20(24)22-10-5-11-23-12-13-25-19(15-23)16-6-2-1-3-7-16/h1-4,6-9,14,19H,5,10-13,15H2,(H,22,24)
InChIKeyPJDYFIVVVNZXEW-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
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 3-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide?
The IUPAC name of 3-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide (CID 16892525) is 3-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide?
The canonical SMILES for 3-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide is O=C(NCCCN1CCOC(c2ccccc2)C1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide?
The InChIKey is PJDYFIVVVNZXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-18-9-4-8-17(14-18)20(24)22-10-5-11-23-12-13-25-19(15-23)16-6-2-1-3-7-16/h1-4,6-9,14,19H,5,10-13,15H2,(H,22,24).
What are the key properties of 3-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide?
3-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide has a molecular weight of 342.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide is sourced from PubChem (CID 16892525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).