4-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide

C15H17ClFNO3 — CID 112729611

IUPAC4-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide
SMILESO=C(NC1CCC2(CC1)OCCO2)c1ccc(Cl)cc1F
InChIInChI=1S/C15H17ClFNO3/c16-10-1-2-12(13(17)9-10)14(19)18-11-3-5-15(6-4-11)20-7-8-21-15/h1-2,9,11H,3-8H2,(H,18,19)
InChIKeyXMGPTUCIOMJPCE-UHFFFAOYSA-N
MW313.76 g/mol
LogP2.89
Rot. Bonds2

About 4-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide

4-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide (PubChem CID 112729611) has the molecular formula C15H17ClFNO3 and a molecular weight of 313.76 g/mol. Its IUPAC name is 4-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide
PubChem CID112729611
Molecular FormulaC15H17ClFNO3
Molecular Weight313.76 g/mol
Exact Mass313.09
IUPAC Name4-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide
SMILESO=C(NC1CCC2(CC1)OCCO2)c1ccc(Cl)cc1F
InChIInChI=1S/C15H17ClFNO3/c16-10-1-2-12(13(17)9-10)14(19)18-11-3-5-15(6-4-11)20-7-8-21-15/h1-2,9,11H,3-8H2,(H,18,19)
InChIKeyXMGPTUCIOMJPCE-UHFFFAOYSA-N
XLogP2.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide?
The IUPAC name of 4-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide (CID 112729611) is 4-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide?
The canonical SMILES for 4-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide is O=C(NC1CCC2(CC1)OCCO2)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide?
The InChIKey is XMGPTUCIOMJPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO3/c16-10-1-2-12(13(17)9-10)14(19)18-11-3-5-15(6-4-11)20-7-8-21-15/h1-2,9,11H,3-8H2,(H,18,19).
What are the key properties of 4-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide?
4-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide has a molecular weight of 313.76 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide is sourced from PubChem (CID 112729611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).