2-(2,5-difluorophenyl)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)acetamide

C17H21F2NO3 — CID 71981914

IUPAC2-(2,5-difluorophenyl)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)acetamide
SMILESO=C(Cc1cc(F)ccc1F)NCC1CCC2(CC1)OCCO2
InChIInChI=1S/C17H21F2NO3/c18-14-1-2-15(19)13(9-14)10-16(21)20-11-12-3-5-17(6-4-12)22-7-8-23-17/h1-2,9,12H,3-8,10-11H2,(H,20,21)
InChIKeyHDVMJNJOFMCDOQ-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.56
Rot. Bonds4

About 2-(2,5-difluorophenyl)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)acetamide

2-(2,5-difluorophenyl)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)acetamide (PubChem CID 71981914) has the molecular formula C17H21F2NO3 and a molecular weight of 325.35 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)acetamide
PubChem CID71981914
Molecular FormulaC17H21F2NO3
Molecular Weight325.35 g/mol
Exact Mass325.15
IUPAC Name2-(2,5-difluorophenyl)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)acetamide
SMILESO=C(Cc1cc(F)ccc1F)NCC1CCC2(CC1)OCCO2
InChIInChI=1S/C17H21F2NO3/c18-14-1-2-15(19)13(9-14)10-16(21)20-11-12-3-5-17(6-4-12)22-7-8-23-17/h1-2,9,12H,3-8,10-11H2,(H,20,21)
InChIKeyHDVMJNJOFMCDOQ-UHFFFAOYSA-N
XLogP2.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)acetamide?
The IUPAC name of 2-(2,5-difluorophenyl)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)acetamide (CID 71981914) is 2-(2,5-difluorophenyl)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)acetamide?
The canonical SMILES for 2-(2,5-difluorophenyl)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)acetamide is O=C(Cc1cc(F)ccc1F)NCC1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(2,5-difluorophenyl)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)acetamide?
The InChIKey is HDVMJNJOFMCDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2NO3/c18-14-1-2-15(19)13(9-14)10-16(21)20-11-12-3-5-17(6-4-12)22-7-8-23-17/h1-2,9,12H,3-8,10-11H2,(H,20,21).
What are the key properties of 2-(2,5-difluorophenyl)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)acetamide?
2-(2,5-difluorophenyl)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)acetamide has a molecular weight of 325.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)acetamide is sourced from PubChem (CID 71981914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).