N-benzyl-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide

C22H17F6NO4 — CID 134139428

IUPACN-benzyl-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide
SMILESO=C(COc1ccc2cc(C(O)(C(F)(F)F)C(F)(F)F)c(O)cc2c1)NCc1ccccc1
InChIInChI=1S/C22H17F6NO4/c23-21(24,25)20(32,22(26,27)28)17-9-14-6-7-16(8-15(14)10-18(17)30)33-12-19(31)29-11-13-4-2-1-3-5-13/h1-10,30,32H,11-12H2,(H,29,31)
InChIKeyWZHNGXGUEZJUEM-UHFFFAOYSA-N
MW473.37 g/mol
LogP4.55
Rot. Bonds6

About N-benzyl-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide

N-benzyl-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide (PubChem CID 134139428) has the molecular formula C22H17F6NO4 and a molecular weight of 473.37 g/mol. Its IUPAC name is N-benzyl-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide.

Molecular Properties

Compound NameN-benzyl-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide
PubChem CID134139428
Molecular FormulaC22H17F6NO4
Molecular Weight473.37 g/mol
Exact Mass473.11
IUPAC NameN-benzyl-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide
SMILESO=C(COc1ccc2cc(C(O)(C(F)(F)F)C(F)(F)F)c(O)cc2c1)NCc1ccccc1
InChIInChI=1S/C22H17F6NO4/c23-21(24,25)20(32,22(26,27)28)17-9-14-6-7-16(8-15(14)10-18(17)30)33-12-19(31)29-11-13-4-2-1-3-5-13/h1-10,30,32H,11-12H2,(H,29,31)
InChIKeyWZHNGXGUEZJUEM-UHFFFAOYSA-N
XLogP4.55
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.37
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide?
The IUPAC name of N-benzyl-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide (CID 134139428) is N-benzyl-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide.
What is the SMILES notation for N-benzyl-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide?
The canonical SMILES for N-benzyl-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide is O=C(COc1ccc2cc(C(O)(C(F)(F)F)C(F)(F)F)c(O)cc2c1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide?
The InChIKey is WZHNGXGUEZJUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F6NO4/c23-21(24,25)20(32,22(26,27)28)17-9-14-6-7-16(8-15(14)10-18(17)30)33-12-19(31)29-11-13-4-2-1-3-5-13/h1-10,30,32H,11-12H2,(H,29,31).
What are the key properties of N-benzyl-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide?
N-benzyl-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide has a molecular weight of 473.37 g/mol, XLogP of 4.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide is sourced from PubChem (CID 134139428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).