N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide

C20H13F6NO2 — CID 10341635

IUPACN-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide
SMILESO=C(Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C20H13F6NO2/c21-19(22,23)18(29,20(24,25)26)15-11-10-12-6-4-5-9-14(12)16(15)27-17(28)13-7-2-1-3-8-13/h1-11,29H,(H,27,28)
InChIKeyIHBHLIHHUAHVAF-UHFFFAOYSA-N
MW413.32 g/mol
LogP5.40
Rot. Bonds3

About N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide

N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide (PubChem CID 10341635) has the molecular formula C20H13F6NO2 and a molecular weight of 413.32 g/mol. Its IUPAC name is N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide.

Molecular Properties

Compound NameN-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide
PubChem CID10341635
Molecular FormulaC20H13F6NO2
Molecular Weight413.32 g/mol
Exact Mass413.09
IUPAC NameN-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide
SMILESO=C(Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C20H13F6NO2/c21-19(22,23)18(29,20(24,25)26)15-11-10-12-6-4-5-9-14(12)16(15)27-17(28)13-7-2-1-3-8-13/h1-11,29H,(H,27,28)
InChIKeyIHBHLIHHUAHVAF-UHFFFAOYSA-N
XLogP5.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.32
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide?
The IUPAC name of N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide (CID 10341635) is N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide.
What is the SMILES notation for N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide?
The canonical SMILES for N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide is O=C(Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12)c1ccccc1.
What is the InChIKey of N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide?
The InChIKey is IHBHLIHHUAHVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F6NO2/c21-19(22,23)18(29,20(24,25)26)15-11-10-12-6-4-5-9-14(12)16(15)27-17(28)13-7-2-1-3-8-13/h1-11,29H,(H,27,28).
What are the key properties of N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide?
N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide has a molecular weight of 413.32 g/mol, XLogP of 5.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide is sourced from PubChem (CID 10341635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).