N-[2-(2-chloro-6-fluorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide

C15H18ClFN2O3 — CID 71969305

IUPACN-[2-(2-chloro-6-fluorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESO=C(NCCc1c(F)cccc1Cl)N1CCC2(C1)OCCO2
InChIInChI=1S/C15H18ClFN2O3/c16-12-2-1-3-13(17)11(12)4-6-18-14(20)19-7-5-15(10-19)21-8-9-22-15/h1-3H,4-10H2,(H,18,20)
InChIKeyABFIUPKLFJSLGH-UHFFFAOYSA-N
MW328.77 g/mol
LogP2.18
Rot. Bonds3

About N-[2-(2-chloro-6-fluorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide

N-[2-(2-chloro-6-fluorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 71969305) has the molecular formula C15H18ClFN2O3 and a molecular weight of 328.77 g/mol. Its IUPAC name is N-[2-(2-chloro-6-fluorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-6-fluorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID71969305
Molecular FormulaC15H18ClFN2O3
Molecular Weight328.77 g/mol
Exact Mass328.10
IUPAC NameN-[2-(2-chloro-6-fluorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESO=C(NCCc1c(F)cccc1Cl)N1CCC2(C1)OCCO2
InChIInChI=1S/C15H18ClFN2O3/c16-12-2-1-3-13(17)11(12)4-6-18-14(20)19-7-5-15(10-19)21-8-9-22-15/h1-3H,4-10H2,(H,18,20)
InChIKeyABFIUPKLFJSLGH-UHFFFAOYSA-N
XLogP2.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-fluorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of N-[2-(2-chloro-6-fluorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 71969305) is N-[2-(2-chloro-6-fluorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for N-[2-(2-chloro-6-fluorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for N-[2-(2-chloro-6-fluorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide is O=C(NCCc1c(F)cccc1Cl)N1CCC2(C1)OCCO2.
What is the InChIKey of N-[2-(2-chloro-6-fluorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is ABFIUPKLFJSLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O3/c16-12-2-1-3-13(17)11(12)4-6-18-14(20)19-7-5-15(10-19)21-8-9-22-15/h1-3H,4-10H2,(H,18,20).
What are the key properties of N-[2-(2-chloro-6-fluorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide?
N-[2-(2-chloro-6-fluorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 328.77 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6-fluorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 71969305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).