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

C19H20F2N2O2 — CID 16892458

IUPAC3,4-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide
SMILESO=C(NCCN1CCOC(c2ccccc2)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N2O2/c20-16-7-6-15(12-17(16)21)19(24)22-8-9-23-10-11-25-18(13-23)14-4-2-1-3-5-14/h1-7,12,18H,8-11,13H2,(H,22,24)
InChIKeyMAGAREMFMCLKSO-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.77
Rot. Bonds5

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

3,4-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide (PubChem CID 16892458) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide
PubChem CID16892458
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name3,4-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide
SMILESO=C(NCCN1CCOC(c2ccccc2)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N2O2/c20-16-7-6-15(12-17(16)21)19(24)22-8-9-23-10-11-25-18(13-23)14-4-2-1-3-5-14/h1-7,12,18H,8-11,13H2,(H,22,24)
InChIKeyMAGAREMFMCLKSO-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide (CID 16892458) is 3,4-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide is O=C(NCCN1CCOC(c2ccccc2)C1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide?
The InChIKey is MAGAREMFMCLKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c20-16-7-6-15(12-17(16)21)19(24)22-8-9-23-10-11-25-18(13-23)14-4-2-1-3-5-14/h1-7,12,18H,8-11,13H2,(H,22,24).
What are the key properties of 3,4-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide?
3,4-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide has a molecular weight of 346.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide is sourced from PubChem (CID 16892458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).