N-[1,1,1,3,3,3-hexafluoro-2-[(4-fluorophenyl)methoxy]propan-2-yl]benzamide

C17H12F7NO2 — CID 2817604

IUPACN-[1,1,1,3,3,3-hexafluoro-2-[(4-fluorophenyl)methoxy]propan-2-yl]benzamide
SMILESO=C(NC(OCc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C17H12F7NO2/c18-13-8-6-11(7-9-13)10-27-15(16(19,20)21,17(22,23)24)25-14(26)12-4-2-1-3-5-12/h1-9H,10H2,(H,25,26)
InChIKeyCPHPCFOAQXGDJZ-UHFFFAOYSA-N
MW395.27 g/mol
LogP4.59
Rot. Bonds5

About N-[1,1,1,3,3,3-hexafluoro-2-[(4-fluorophenyl)methoxy]propan-2-yl]benzamide

N-[1,1,1,3,3,3-hexafluoro-2-[(4-fluorophenyl)methoxy]propan-2-yl]benzamide (PubChem CID 2817604) has the molecular formula C17H12F7NO2 and a molecular weight of 395.27 g/mol. Its IUPAC name is N-[1,1,1,3,3,3-hexafluoro-2-[(4-fluorophenyl)methoxy]propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1,1,1,3,3,3-hexafluoro-2-[(4-fluorophenyl)methoxy]propan-2-yl]benzamide
PubChem CID2817604
Molecular FormulaC17H12F7NO2
Molecular Weight395.27 g/mol
Exact Mass395.08
IUPAC NameN-[1,1,1,3,3,3-hexafluoro-2-[(4-fluorophenyl)methoxy]propan-2-yl]benzamide
SMILESO=C(NC(OCc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C17H12F7NO2/c18-13-8-6-11(7-9-13)10-27-15(16(19,20)21,17(22,23)24)25-14(26)12-4-2-1-3-5-12/h1-9H,10H2,(H,25,26)
InChIKeyCPHPCFOAQXGDJZ-UHFFFAOYSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.27
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-[1,1,1,3,3,3-hexafluoro-2-[(4-fluorophenyl)methoxy]propan-2-yl]benzamide?
The IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-[(4-fluorophenyl)methoxy]propan-2-yl]benzamide (CID 2817604) is N-[1,1,1,3,3,3-hexafluoro-2-[(4-fluorophenyl)methoxy]propan-2-yl]benzamide.
What is the SMILES notation for N-[1,1,1,3,3,3-hexafluoro-2-[(4-fluorophenyl)methoxy]propan-2-yl]benzamide?
The canonical SMILES for N-[1,1,1,3,3,3-hexafluoro-2-[(4-fluorophenyl)methoxy]propan-2-yl]benzamide is O=C(NC(OCc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[1,1,1,3,3,3-hexafluoro-2-[(4-fluorophenyl)methoxy]propan-2-yl]benzamide?
The InChIKey is CPHPCFOAQXGDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F7NO2/c18-13-8-6-11(7-9-13)10-27-15(16(19,20)21,17(22,23)24)25-14(26)12-4-2-1-3-5-12/h1-9H,10H2,(H,25,26).
What are the key properties of N-[1,1,1,3,3,3-hexafluoro-2-[(4-fluorophenyl)methoxy]propan-2-yl]benzamide?
N-[1,1,1,3,3,3-hexafluoro-2-[(4-fluorophenyl)methoxy]propan-2-yl]benzamide has a molecular weight of 395.27 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1,1,3,3,3-hexafluoro-2-[(4-fluorophenyl)methoxy]propan-2-yl]benzamide is sourced from PubChem (CID 2817604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).