2,6-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide

C20H22F2N2O2 — CID 16892502

IUPAC2,6-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
SMILESO=C(NCCCN1CCOC(c2ccccc2)C1)c1c(F)cccc1F
InChIInChI=1S/C20H22F2N2O2/c21-16-8-4-9-17(22)19(16)20(25)23-10-5-11-24-12-13-26-18(14-24)15-6-2-1-3-7-15/h1-4,6-9,18H,5,10-14H2,(H,23,25)
InChIKeyPFIILUOJOPBNGC-UHFFFAOYSA-N
MW360.40 g/mol
LogP3.16
Rot. Bonds6

About 2,6-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide

2,6-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide (PubChem CID 16892502) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 2,6-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
PubChem CID16892502
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name2,6-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
SMILESO=C(NCCCN1CCOC(c2ccccc2)C1)c1c(F)cccc1F
InChIInChI=1S/C20H22F2N2O2/c21-16-8-4-9-17(22)19(16)20(25)23-10-5-11-24-12-13-26-18(14-24)15-6-2-1-3-7-15/h1-4,6-9,18H,5,10-14H2,(H,23,25)
InChIKeyPFIILUOJOPBNGC-UHFFFAOYSA-N
XLogP3.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.16
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 2,6-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide (CID 16892502) is 2,6-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide is O=C(NCCCN1CCOC(c2ccccc2)C1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide?
The InChIKey is PFIILUOJOPBNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c21-16-8-4-9-17(22)19(16)20(25)23-10-5-11-24-12-13-26-18(14-24)15-6-2-1-3-7-15/h1-4,6-9,18H,5,10-14H2,(H,23,25).
What are the key properties of 2,6-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide?
2,6-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide has a molecular weight of 360.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide is sourced from PubChem (CID 16892502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).