2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-(2-phenylethylamino)propan-2-yl]benzamide

C20H20F6N2O2 — CID 1241486

IUPAC2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-(2-phenylethylamino)propan-2-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC(NCCc1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H20F6N2O2/c1-2-30-16-11-7-6-10-15(16)17(29)28-18(19(21,22)23,20(24,25)26)27-13-12-14-8-4-3-5-9-14/h3-11,27H,2,12-13H2,1H3,(H,28,29)
InChIKeyXZOVSCYRUKSVNN-UHFFFAOYSA-N
MW434.38 g/mol
LogP4.47
Rot. Bonds8

About 2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-(2-phenylethylamino)propan-2-yl]benzamide

2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-(2-phenylethylamino)propan-2-yl]benzamide (PubChem CID 1241486) has the molecular formula C20H20F6N2O2 and a molecular weight of 434.38 g/mol. Its IUPAC name is 2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-(2-phenylethylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-(2-phenylethylamino)propan-2-yl]benzamide
PubChem CID1241486
Molecular FormulaC20H20F6N2O2
Molecular Weight434.38 g/mol
Exact Mass434.14
IUPAC Name2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-(2-phenylethylamino)propan-2-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC(NCCc1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H20F6N2O2/c1-2-30-16-11-7-6-10-15(16)17(29)28-18(19(21,22)23,20(24,25)26)27-13-12-14-8-4-3-5-9-14/h3-11,27H,2,12-13H2,1H3,(H,28,29)
InChIKeyXZOVSCYRUKSVNN-UHFFFAOYSA-N
XLogP4.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.38
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-(2-phenylethylamino)propan-2-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-(2-phenylethylamino)propan-2-yl]benzamide (CID 1241486) is 2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-(2-phenylethylamino)propan-2-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-(2-phenylethylamino)propan-2-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-(2-phenylethylamino)propan-2-yl]benzamide is CCOc1ccccc1C(=O)NC(NCCc1ccccc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-(2-phenylethylamino)propan-2-yl]benzamide?
The InChIKey is XZOVSCYRUKSVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F6N2O2/c1-2-30-16-11-7-6-10-15(16)17(29)28-18(19(21,22)23,20(24,25)26)27-13-12-14-8-4-3-5-9-14/h3-11,27H,2,12-13H2,1H3,(H,28,29).
What are the key properties of 2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-(2-phenylethylamino)propan-2-yl]benzamide?
2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-(2-phenylethylamino)propan-2-yl]benzamide has a molecular weight of 434.38 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-(2-phenylethylamino)propan-2-yl]benzamide is sourced from PubChem (CID 1241486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).