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

C18H15F6NO4 — CID 134132029

IUPACN-cyclopropyl-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)NC1CC1
InChIInChI=1S/C18H15F6NO4/c19-17(20,21)16(28,18(22,23)24)13-6-9-1-4-12(5-10(9)7-14(13)26)29-8-15(27)25-11-2-3-11/h1,4-7,11,26,28H,2-3,8H2,(H,25,27)
InChIKeyKRJZZXKNHIXOJI-UHFFFAOYSA-N
MW423.31 g/mol
LogP3.52
Rot. Bonds5

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

N-cyclopropyl-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide (PubChem CID 134132029) has the molecular formula C18H15F6NO4 and a molecular weight of 423.31 g/mol. Its IUPAC name is N-cyclopropyl-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide
PubChem CID134132029
Molecular FormulaC18H15F6NO4
Molecular Weight423.31 g/mol
Exact Mass423.09
IUPAC NameN-cyclopropyl-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)NC1CC1
InChIInChI=1S/C18H15F6NO4/c19-17(20,21)16(28,18(22,23)24)13-6-9-1-4-12(5-10(9)7-14(13)26)29-8-15(27)25-11-2-3-11/h1,4-7,11,26,28H,2-3,8H2,(H,25,27)
InChIKeyKRJZZXKNHIXOJI-UHFFFAOYSA-N
XLogP3.52
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.31
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide?
The IUPAC name of N-cyclopropyl-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide (CID 134132029) is N-cyclopropyl-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-cyclopropyl-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide?
The canonical SMILES for N-cyclopropyl-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)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide?
The InChIKey is KRJZZXKNHIXOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F6NO4/c19-17(20,21)16(28,18(22,23)24)13-6-9-1-4-12(5-10(9)7-14(13)26)29-8-15(27)25-11-2-3-11/h1,4-7,11,26,28H,2-3,8H2,(H,25,27).
What are the key properties of N-cyclopropyl-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide?
N-cyclopropyl-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide has a molecular weight of 423.31 g/mol, XLogP of 3.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide is sourced from PubChem (CID 134132029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).