N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,4-difluorobenzamide

C15H17F2NO3 — CID 18583924

IUPACN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,4-difluorobenzamide
SMILESO=C(NCC1COC2(CCCC2)O1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H17F2NO3/c16-12-4-3-10(7-13(12)17)14(19)18-8-11-9-20-15(21-11)5-1-2-6-15/h3-4,7,11H,1-2,5-6,8-9H2,(H,18,19)
InChIKeyJCCSJKJOFOCAAN-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.38
Rot. Bonds3

About N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,4-difluorobenzamide

N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,4-difluorobenzamide (PubChem CID 18583924) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,4-difluorobenzamide
PubChem CID18583924
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC NameN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,4-difluorobenzamide
SMILESO=C(NCC1COC2(CCCC2)O1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H17F2NO3/c16-12-4-3-10(7-13(12)17)14(19)18-8-11-9-20-15(21-11)5-1-2-6-15/h3-4,7,11H,1-2,5-6,8-9H2,(H,18,19)
InChIKeyJCCSJKJOFOCAAN-UHFFFAOYSA-N
XLogP2.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,4-difluorobenzamide?
The IUPAC name of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,4-difluorobenzamide (CID 18583924) is N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,4-difluorobenzamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,4-difluorobenzamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,4-difluorobenzamide is O=C(NCC1COC2(CCCC2)O1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,4-difluorobenzamide?
The InChIKey is JCCSJKJOFOCAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO3/c16-12-4-3-10(7-13(12)17)14(19)18-8-11-9-20-15(21-11)5-1-2-6-15/h3-4,7,11H,1-2,5-6,8-9H2,(H,18,19).
What are the key properties of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,4-difluorobenzamide?
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,4-difluorobenzamide has a molecular weight of 297.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,4-difluorobenzamide is sourced from PubChem (CID 18583924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).