N-[2-(2-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide

C17H22FNO3 — CID 112529364

IUPACN-[2-(2-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide
SMILESO=C(NCCc1ccccc1F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C17H22FNO3/c18-15-4-2-1-3-13(15)7-10-19-16(20)14-5-8-17(9-6-14)21-11-12-22-17/h1-4,14H,5-12H2,(H,19,20)
InChIKeyQCHSRZFMLSAWIB-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.42
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide

N-[2-(2-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide (PubChem CID 112529364) has the molecular formula C17H22FNO3 and a molecular weight of 307.36 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide
PubChem CID112529364
Molecular FormulaC17H22FNO3
Molecular Weight307.36 g/mol
Exact Mass307.16
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide
SMILESO=C(NCCc1ccccc1F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C17H22FNO3/c18-15-4-2-1-3-13(15)7-10-19-16(20)14-5-8-17(9-6-14)21-11-12-22-17/h1-4,14H,5-12H2,(H,19,20)
InChIKeyQCHSRZFMLSAWIB-UHFFFAOYSA-N
XLogP2.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide (CID 112529364) is N-[2-(2-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide is O=C(NCCc1ccccc1F)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The InChIKey is QCHSRZFMLSAWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c18-15-4-2-1-3-13(15)7-10-19-16(20)14-5-8-17(9-6-14)21-11-12-22-17/h1-4,14H,5-12H2,(H,19,20).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 112529364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).