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

C16H20FNO3 — CID 112528402

IUPACN-[(4-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H20FNO3/c17-14-3-1-12(2-4-14)11-18-15(19)13-5-7-16(8-6-13)20-9-10-21-16/h1-4,13H,5-11H2,(H,18,19)
InChIKeyHWPIIXKYMMFHPQ-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.38
Rot. Bonds3

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

N-[(4-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide (PubChem CID 112528402) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide
PubChem CID112528402
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC NameN-[(4-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H20FNO3/c17-14-3-1-12(2-4-14)11-18-15(19)13-5-7-16(8-6-13)20-9-10-21-16/h1-4,13H,5-11H2,(H,18,19)
InChIKeyHWPIIXKYMMFHPQ-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 ≤ 500293.34
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-[(4-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide (CID 112528402) is N-[(4-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide is O=C(NCc1ccc(F)cc1)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The InChIKey is HWPIIXKYMMFHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c17-14-3-1-12(2-4-14)11-18-15(19)13-5-7-16(8-6-13)20-9-10-21-16/h1-4,13H,5-11H2,(H,18,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide?
N-[(4-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide has a molecular weight of 293.34 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-[(4-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 112528402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).